SCHEMBL40711

SCHEMBL40711

O=C1CCC(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
TSHR P16473 1/20 0.51
ALDH1A1 P00352 4/20 0.50
POLB P06746 2/20 0.50
CASP3 P42574 1/20 0.50
GRM2 Q14416 2/20 0.48
BRD4 O60885 1/20 0.47
GRM6 O15303 1/20 0.47
NR1I2 O75469 1/20 0.47
KCNH2 Q12809 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL19233352 0.92 KMT2A (0.69) KMT2AMEN1CA12CA1CA2
SCHEMBL4156036 0.82 ALDH1A1 (0.50) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL28548456 0.81 CA12 (0.59) KMT2AMEN1CA12CA1CA2
SCHEMBL4154508 0.80 ALDH1A1 (0.61) KMT2AMEN1CA1CA2CA9
SCHEMBL19002513 0.79 ALDH1A1 (0.66) KMT2AMEN1CA12CA1CA2
SCHEMBL7217564 0.79 CA1 (0.62) KMT2AMEN1CA12CA1CA2
SCHEMBL5767794 0.79 CA12 (0.58) KMT2ACA12CA1CA2CA9
SCHEMBL2662556 0.79 CASP3 (0.54) KMT2AMEN1TSHRALDH1A1POLB
SCHEMBL290791 0.78 POLB (0.70) KMT2AMEN1CA12CA1CA2
SCHEMBL30806656 0.77 ATAD2 (0.62) KMT2AMEN1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-11-23 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
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-08-22 US 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
EP-3919466-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS Yeda Research and Development Co. Ltd (IL) 2021-12-08 EP disclosed
CN-112047925-B Preparation method of N- (aryl/heteroaryl) alkyl-diamide 中国科学院兰州化学物理研究所 2021-06-25 CN disclosed
CN-112047925-A Preparation method of N- (aryl/heteroaryl) alkyl-diamide 中国科学院兰州化学物理研究所 2020-12-08 CN disclosed
WO-2017137984-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-08-17 WO disclosed
WO-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
CN-1726212-A Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES INC (US) 2006-01-25 CN disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 US disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
EP-0066484-B1 PROCESS FOR THE PREPARATION OF N-BENZYL-SUBSTITUTED IMIDES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-08-08 EP disclosed
EP-0066484-A1 Process for the preparation of N-benzyl-substituted imides RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-12-08 EP 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 (5 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-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 KMT2A 1262/4885MEN1 4367/4885CA12 4799/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 KMT2A 1262/4885MEN1 4367/4885CA12 4799/4885
US-20230372915-A1 MANGANESE BASED COMPLEXES AND USES THEREOF FOR HOMOGENEOUS CATALYSIS ADH1C, OTC, MLEC KMT2A 843/4885MEN1 32/4885CA12 4/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE KMT2A 1777/4885MEN1 4347/4885CA12 4829/4885
US-11731116-B2 Manganese based complexes and uses thereof for homogeneous catalysis ADH1C, OTC, ADH5 KMT2A 990/4885MEN1 41/4885CA12 10/4885

“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.