SCHEMBL3149293

SCHEMBL3149293

CN(C)c1[c]cccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR7 P34969 2/20 0.37
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGS2 P35354 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
PSMB5 P28074 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
CACNA1B Q00975 2/20 0.33

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
SCHEMBL27967611 0.77 DPP4 (0.40) MEN1KMT2ASMN1; SMN2HTR7DPP4
SCHEMBL4687606 0.73 PTGS2 (0.32) PTGS2
SCHEMBL695988 0.72 PDCD1 (0.39) MEN1KMT2ASMN1; SMN2DPP4ALDH1A1
SCHEMBL3539990 0.72 ALDH1A1 (0.35) MEN1KMT2ASMN1; SMN2HTR7DPP4
SCHEMBL9297636 0.72 DDB1 (0.32) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL6638777 0.72 TAAR1 (0.44) MEN1KMT2ASMN1; SMN2HTR7DPP4
SCHEMBL7487017 0.71 PGR (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL11473400 0.71 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL13736563 0.71 NOTUM (0.37) ALDH1A1HSD17B10MAPK1KDM4E
SCHEMBL11661579 0.71 HTR1A (0.38) MEN1KMT2ASMN1; SMN2HTR7ALDH1A1

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
WO-2021064188-A1 COMBINATION COMPRISING HDAC INHIBITOR, CTLA-4 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2021-04-08 WO disclosed
EP-3781159-A1 COMBINATION COMPRISING HDAC INHIBITOR, LAG-3 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2021-02-24 EP disclosed
EP-3773554-A1 COMBINATION COMPRISING HDAC INHIBITOR AND CD137 AGONIST FOR CANCER THERAPY 4SC AG (DE) 2021-02-17 EP disclosed
WO-2019202001-A1 COMBINATION COMPRISING HDAC INHIBITOR, LAG-3 INHIBITOR AND A PD-1 INHIBITOR OR PD-L1 INHIBITOR FOR CANCER TREATMENT 4SC AG (DE) 2019-10-24 WO disclosed
WO-2019185598-A1 COMBINATION COMPRISING HDAC INHIBITOR AND CD137 AGONIST FOR CANCER THERAPY 4SC AG (DE) 2019-10-03 WO disclosed
US-8815855-B2 N-sulphonylpyrroles and their use as histone deacetylase inhibitors 4SC AG (DE) 2014-08-26 US disclosed
CN-1762957-B 2,3-dihydro-1-indene compound and preparation method thereof BASELL POLYOLEFINE GMBH 2010-05-12 CN disclosed
US-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS MAIER THOMAS 2010-03-25 US disclosed
CN-100451024-C Metallocene compound, indene compound and application thereof BASELL POLYOLEFINE GMBH (DE) 2009-01-14 CN disclosed
CN-1763060-A Metallocene compound, indene compound and application thereof BASELL POLYOLEFINE GMBH (DE) 2006-04-26 CN disclosed
CN-1762957-A 2,3-dihydro-1-indene compound and preparation method thereof BASELL POLYOLEFINE GMBH (DE) 2006-04-26 CN disclosed
CN-1231431-C Process for preparing substituted 2, 3-dihydro-1-indanones TARGOR GMBH (DE) 2005-12-14 CN disclosed
EP-1066268-A1 5-SUBSTITUTED PYRIMIDINE-2-YLOXY CARBOXYLIC ACID DERIVATIVES, THE PRODUCTION OF THE SAME AND THEIR UTILIZATION AS ENDOTHELIN ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2001-01-10 EP disclosed
CN-1254328-A Process for preparing substituted 2, 3-dihydro-1-indanones TARGOR GMBH (DE) 2000-05-24 CN disclosed
WO-1999042453-A1 5-SUBSTITUTED PYRIMIDINE-2-YLOXY CARBOXYLIC ACID DERIVATIVES, THE PRODUCTION OF THE SAME AND THEIR UTILIZATION AS ENDOTHELIN ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1999-08-26 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 (1 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-20100074862-A1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 MEN1 4245/4885KMT2A 74/4885SMN1; SMN2 2017/4885

“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.