SCHEMBL13148355

SCHEMBL13148355

Cc1nn(C(C)(C)C)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.34
PARP1 P09874 2/20 0.33
TSHR P16473 1/20 0.31
MAPT P10636 2/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL15999958 0.84 ALDH1A1 (0.34) ALDH1A1MAPTAPAF1
SCHEMBL15716050 0.77 HPGD (0.36) HPGDSMN1; SMN2PARP1
SCHEMBL21719479 0.75 HPGD (0.32) HPGDSMN1; SMN2
SCHEMBL21720878 0.75 HPGD (0.35) HPGDSMN1; SMN2PARP1
SCHEMBL21720874 0.75
SCHEMBL21720787 0.75 HPGD (0.35) HPGDSMN1; SMN2PARP1
SCHEMBL21165968 0.75 HPGD (0.35) HPGDSMN1; SMN2PARP1
SCHEMBL21721135 0.75 SMN1; SMN2 (0.43) HPGDSMN1; SMN2PARP1
SCHEMBL21166086 0.75 HPGD (0.35) HPGDSMN1; SMN2PARP1
SCHEMBL21720999 0.75 HPGD (0.35) HPGDSMN1; SMN2PARP1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11788080-B2 Modified cleavases, uses thereof and related kits Encodia, Inc. (US) 2023-10-17 US disclosed
US-20230257727-A1 MODIFIED CLEAVASES, USES THEREOF AND RELATED KITS Encodia, Inc. (US) 2023-08-17 US disclosed
US-20230193248-A1 METHODS FOR PROTEIN IDENTIFICATION BASED ON ENCODING REACTIONS Encodia, Inc. (US) 2023-06-22 US disclosed
US-11661413-B2 Pyrazole compounds or salts thereof, preparation method therefor, herbicidal composition and use thereof QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2023-05-30 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-9846160-B2 Ganglioside GD2 as a marker and target on cancer stem cells BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2017-12-19 US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
WO-2017139689-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 WO disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 US disclosed
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 US disclosed
WO-2009074590-A1 N- (2 { [1-PHENYL-1H-INDAZ0L-4-YL] AMINO} PROPYL) -SULFONAMIDE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS FOR THE TREATMENT OF INFLAMMATIONS GLAXO GROUP LIMITED (GB) 2009-06-18 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 (7 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-20170233414-A1 DERIVATIVES OF BODIPY NPC1L1, NPC1, ABCB4 HPGD 3680/4885SMN1; SMN2 1263/4885ALDH1A1 2043/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B HPGD 2314/4885SMN1; SMN2 548/4885ALDH1A1 4527/4885
US-11661413-B2 Pyrazole compounds or salts thereof, preparation method therefor, herbicidal composition and use thereof WEE1, CBR3, WEE2 HPGD 3244/4885SMN1; SMN2 4824/4885ALDH1A1 2436/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HPGD 3760/4885SMN1; SMN2 989/4885ALDH1A1 2706/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK HPGD 159/4885SMN1; SMN2 3624/4885ALDH1A1 894/4885
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A HPGD 1329/4885SMN1; SMN2 3181/4885ALDH1A1 360/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK HPGD 159/4885SMN1; SMN2 3624/4885ALDH1A1 894/4885

“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.