SCHEMBL843331

SCHEMBL843331

NC(=O)n1c(C(=O)O)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
LMNA P02545 2/20 0.46
ASAH1 Q13510 2/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 5/20 0.43
PKM P14618 3/20 0.43
POLB P06746 2/20 0.43
NOD1 Q9Y239 1/20 0.43
RECQL P46063 1/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
IDO1 P14902 1/20 0.40
KLK5 Q9Y337 1/20 0.40

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
SCHEMBL28561602 0.88 NPC1 (0.49) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL21332745 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL23855754 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL6961424 0.79 NOS2 (0.53) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL116004 0.79 NPC1 (0.68) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL6890976 0.78 KDM4E (0.56) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL7400036 0.77 NPC1 (0.49) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL7394357 0.77 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL7645 0.77 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL9267030 0.76 RAB9A (0.49) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
EP-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP disclosed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US disclosed
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC. 2005-10-06 US disclosed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US disclosed
US-6911543-B2 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PFIZER INC. (US) 2005-06-28 US disclosed
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
US-6858613-B2 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC. (US) 2005-02-22 US disclosed
US-6849620-B2 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PFIZER INC (US) 2005-02-01 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
WO-2003037896-A1 N-AZABICYCLO-SUBSTITUTED HETERO-BICYCLIC CARBOXAMIDES AS NACHR AGONISTS PHARMACIA & UPJOHN COMPANY (US) 2003-05-08 WO disclosed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 WO disclosed
WO-2003018586-A1 SUBSTITUTED-ARYL 7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-03-06 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 SMN1; SMN2 1918/4885NPC1 267/4885RAB9A 491/4885
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 SMN1; SMN2 1095/4885NPC1 131/4885RAB9A 245/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 SMN1; SMN2 1836/4885NPC1 114/4885RAB9A 486/4885
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 SMN1; SMN2 895/4885NPC1 396/4885RAB9A 990/4885
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease CYP1B1, ABCB1, NAT1 SMN1; SMN2 2389/4885NPC1 220/4885RAB9A 1422/4885
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 SMN1; SMN2 1095/4885NPC1 131/4885RAB9A 245/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 SMN1; SMN2 665/4885NPC1 221/4885RAB9A 871/4885

“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.