SCHEMBL1505065

SCHEMBL1505065

COCCOc1ncc(Br)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
HSD17B10 Q99714 2/20 0.41
RECQL P46063 1/20 0.37
HPGD P15428 1/20 0.37
SORT1 Q99523 3/20 0.36
TSHR P16473 2/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GRM4 Q14833 1/20 0.35
HCAR3 P49019 1/20 0.35
OPRK1 P41145 2/20 0.34

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
SCHEMBL3348625 0.87 CNR2 (0.50) CNR2HSD17B10MAPK1OPRK1
SCHEMBL3451828 0.84 CNR2 (0.44) CNR2HSD17B10TSHRKMT2AALDH1A1
SCHEMBL31481588 0.83 CNR2 (0.43) CNR2HSD17B10SORT1TSHRKMT2A
SCHEMBL1505764 0.83 CNR2 (0.47) CNR2HSD17B10TSHRKMT2AMAPK1
SCHEMBL6362662 0.83 HSD17B10 (0.50) CNR2HSD17B10HPGDTSHRKMT2A
SCHEMBL316314 0.82 HSD17B10 (0.50) CNR2HSD17B10HPGDSORT1TSHR
SCHEMBL1505330 0.82 PLAU (0.45) MAPK1
SCHEMBL1505109 0.82 PTGER4 (0.41) TSHRKMT2AMAPK1GRM4
SCHEMBL21512633 0.81 KDM4E (0.46) CNR2KMT2AALDH1A1
SCHEMBL3447615 0.81 CNR2 (0.46) CNR2HSD17B10SORT1TSHRLCK

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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
WO-2011027156-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 WO disclosed
US-20110059043-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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 (3 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD CNR2 517/4885HSD17B10 1121/4885RECQL 484/4885
US-20110059043-A1 CHEMICAL COMPOUNDS CYP2E1, CNR1, CYP3A5 CNR2 34/4885HSD17B10 1452/4885RECQL 939/4885
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 CNR2 760/4885HSD17B10 2340/4885RECQL 402/4885

“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.