SCHEMBL345944

SCHEMBL345944

COc1ccc(-c2nn[c]o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.51
RAB9A P51151 9/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPT P10636 6/20 0.50
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HSD17B10 Q99714 3/20 0.50
TP53 P04637 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
USP2 O75604 1/20 0.49
GSK3B P49841 1/20 0.45
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL7312332 0.81 RAB9A (0.41) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL3621429 0.80 NOTUM (0.56) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL7223282 0.79 NPC1 (0.47) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL3620750 0.77 NOTUM (0.48) KMT2ASMN1; SMN2CYP1A2NOTUMNPSR1
SCHEMBL7303064 0.77 ALDH1A1 (0.55) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL7307514 0.77 KDM4E (0.40) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL7307355 0.76 RAB9A (0.54) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL7310699 0.75 ALDH1A1 (0.55) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL209522 0.75 RAB9A (0.54) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL344372 0.75 NPC1 (0.46) NPC1RAB9AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US claimed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US claimed
EP-1664003-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 EP claimed
WO-2005028454-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO claimed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US claimed
WO-2004000838-A1 PEPTIDIC COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-12-31 WO claimed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed
US-8716289-B2 Carbamate derivatives of alkyl-heterocycles, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-05-06 US disclosed
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
US-4137235-A ULTRAVIOLET STABILIZERS IN POLYMERIC COMPOSITIONS EASTMAN KODAK COMPANY (US) 1979-01-30 US disclosed
US-4116929-A POLYESTERS EASTMAN KODAK COMPANY (US) 1978-09-26 US disclosed
US-4116928-A Heterocylic ester, ultraviolet stabilizers and their use in organic compositions EASTMAN KODAK COMPANY (US) 1978-09-26 US disclosed
US-4096115-A Ultraviolet light stabilized polymers EASTMAN KODAK COMPANY (US) 1978-06-20 US disclosed
US-4020080-A Oxadiazolylphenyl aromatic ester compounds and their use as ultraviolet stabilizer in organic compositions EASTMAN KODAK COMPANY (US) 1977-04-26 US disclosed
US-4017508-A POLYMERS EASTMAN KODAK COMPANY (US) 1977-04-12 US 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 (4 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A NPC1 1821/4885RAB9A 331/4885KMT2A 2849/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS NPC1 284/4885RAB9A 1368/4885KMT2A 4214/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE NPC1 123/4885RAB9A 978/4885KMT2A 4029/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS NPC1 689/4885RAB9A 1089/4885KMT2A 2579/4885

“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.