SCHEMBL2730172

SCHEMBL2730172

CC(C)(C)c1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.81
▸ NPC1 O15118 3/20 0.81
▸ RAB9A P51151 3/20 0.81
▸ SMN1; SMN2 Q16637 3/20 0.81
▸ MAPK1 P28482 2/20 0.81
▸ HTT P42858 2/20 0.81
▸ MEN1 O00255 1/20 0.81
▸ XBP1 P17861 1/20 0.81
▸ KMT2A Q03164 1/20 0.81
▸ EPHX2 P34913 3/20 0.79
▸ NR1H4 Q96RI1 1/20 0.79
▸ TRPV1 Q8NER1 4/20 0.76
▸ KIF11 P52732 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ STAT1 P42224 1/20 0.63
▸ EPHX1 P07099 1/20 0.62
▸ HDAC3 O15379 1/20 0.61
▸ HDAC11 Q96DB2 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13756246 1.00 MAPT (0.81) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17072026 0.92 EPHX2 (0.74) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL12585027 0.92 MAPT (0.71) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL10201044 0.90 NPC1 (0.68) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL22059470 0.89 NR1H4 (1.00) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13141239 0.88 NPC1 (0.68) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL9037064 0.88 NPC1 (0.66) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL12264103 0.87 RAB9A (0.65) MAPTNPC1RAB9ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL9004709 0.86 RAB9A (0.64) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL22103804 0.86 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290441-B2 Use of ruthenium complexes for formation and/or hydrogenation of amides and related carboxylic acid derivatives YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-03-22 — — US claimed
US-20120253042-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-10-04 — — US claimed
US-12145139-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-11-19 — — US disclosed
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-11-23 — — US disclosed
EP-3188832-B1 RUTHENIUM COMPLEXES AND THEIR USES AS CATALYSTS IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND RELATED REACTIONS YEDA RES & DEV (IL) 2023-10-04 — — EP disclosed
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-08-22 — — US disclosed
CN-114213286-B Synthetic method of urea derivative 湖北文理学院 2022-12-30 — — CN disclosed
CN-110683969-B Urea derivative and synthetic method thereof 曲阜师范大学 2022-05-17 — — CN disclosed
EP-3919466-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS Yeda Research and Development Co. Ltd (IL) 2021-12-08 — — EP disclosed
EP-2629889-B1 RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RES & DEV (IL) 2019-04-03 — — EP disclosed
EP-2629889-B1 RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RES & DEV (IL) 2019-04-03 — — EP disclosed
US-8952167-B2 Pseudorotaxanes, rotaxanes and catenanes formed by metal ions templating NATIONAL TAIWAN UNIVERSITY (TW) 2015-02-10 — — US disclosed
US-8952167-B2 Pseudorotaxanes, rotaxanes and catenanes formed by metal ions templating NATIONAL TAIWAN UNIVERSITY (TW) 2015-02-10 — — US disclosed
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2014-11-27 — — US disclosed
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING NATIONAL TAIWAN UNIVERSITY (TW) 2014-11-27 — — US disclosed
US-20130281664-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-10-24 — — US disclosed
US-20130281664-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2013-10-24 — — US disclosed
EP-2629889-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF Yeda Research and Development Co. Ltd. (IL) 2013-08-28 — — EP disclosed
US-20120253042-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-10-04 — — US disclosed
WO-2012052996-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-04-26 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS ADH1C, OTC, MLEC MAPT 3761/4885NPC1 3936/4885RAB9A 3933/4885
US-20120253042-A1 USE OF RUTHENIUM COMPLEXES FOR FORMATION AND/OR HYDROGENATION OF AMIDES AND RELATED CARBOXYLIC ACID DERIVATIVES ADH5, ADH1C, ADH1A MAPT 3690/4885NPC1 4444/4885RAB9A 3469/4885
US-12145139-B2 Manganese based complexes and uses thereof for homogeneous catalysis ADH1C, OTC, MLEC MAPT 3761/4885NPC1 3936/4885RAB9A 3933/4885
US-20140350242-A1 PSEUDOROTAXANES, ROTAXANES AND CATENANES FORMED BY METAL IONS TEMPLATING PCNA, TIMCC, SGTA MAPT 642/4885NPC1 4843/4885RAB9A 3133/4885
US-20130281664-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF ADH5, ADH1C, ADH1A MAPT 3645/4885NPC1 4697/4885RAB9A 3970/4885
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis ADH1C, OTC, ADH5 MAPT 3901/4885NPC1 3865/4885RAB9A 3981/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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