SCHEMBL2946710

SCHEMBL2946710

COc1ccc(-c2c(C)noc2-c2cc(C=Cc3ccccc3)c(OCc3ccccc3)cc2OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 2/20 0.42
ALOX5 P09917 1/20 0.41
ALOX5AP P20292 1/20 0.41
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MAPT P10636 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
LMNA P02545 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
AKR1C3 P42330 3/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.37

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
SCHEMBL2946707 1.00 SMN1; SMN2 (0.43) SMN1; SMN2BRD4ALOX5ALOX5APGSK3B
SCHEMBL11994492 0.86 ALOX5 (0.48) SMN1; SMN2BRD4ALOX5ALOX5APGSK3B
SCHEMBL2940825 0.86 SMN1; SMN2 (0.48) SMN1; SMN2BRD4ALOX5ALOX5APGSK3B
SCHEMBL2940893 0.84 HDAC8 (0.47) SMN1; SMN2BRD4ALOX5ALOX5APGSK3B
SCHEMBL2940892 0.84 HDAC8 (0.47) SMN1; SMN2BRD4ALOX5ALOX5APGSK3B
SCHEMBL2939968 0.84 SMN1; SMN2 (0.46) SMN1; SMN2BRD4ALOX5ALOX5APGSK3B
SCHEMBL12939004 0.82 ALOX5 (0.46) SMN1; SMN2BRD4ALOX5ALOX5APGSK3B
SCHEMBL12939000 0.81 SMN1; SMN2 (0.46) SMN1; SMN2BRD4ALOX5ALOX5APGSK3B
SCHEMBL2948361 0.81 CSNK2A2 (0.46) SMN1; SMN2ALOX5ALOX5APMAPTCSNK2A2
SCHEMBL2948691 0.80 SMN1; SMN2 (0.50) SMN1; SMN2BRD4ALOX5ALOX5APMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2022-02-01 US disclosed
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins THE INSTITUTE OF CANCER RESEARCH (GB) 2019-09-17 US disclosed
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2017-11-16 US disclosed
US-9718793-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (R&D) LTD. (GB) 2017-08-01 US disclosed
US-20130289026-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS DEVELOPMENT LIMITED (GB) 2013-10-31 US disclosed
US-8507480-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (R&D) LIMITED (GB) 2013-08-13 US disclosed
US-8450310-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (R&D) LIMITED (GB) 2013-05-28 US disclosed
US-20120252797-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2012-10-04 US disclosed
EP-1611112-B1 ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS VERNALIS CAMBRIDGE LTD (GB) 2012-08-22 EP disclosed
US-20100179138-A1 Isozazole Compounds As Inhibitors Of Heat Shock Proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-07-15 US disclosed
US-7705027-B2 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS (CAMBRIDGE) LIMITED (GB) 2010-04-27 US disclosed
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins VERNALIS DEVELOPMENT LIMITED (GB) 2006-10-26 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 (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-20120252797-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AB2P, HSP90AA1 SMN1; SMN2 4020/4885BRD4 1328/4885ALOX5 3662/4885
US-20100179138-A1 Isozazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P SMN1; SMN2 3230/4885BRD4 2216/4885ALOX5 3167/4885
US-20130289026-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P SMN1; SMN2 2928/4885BRD4 2407/4885ALOX5 2909/4885
US-20170326152-A1 Isoxazole Compounds As Inhibitors Of Heat Shock Proteins HSP90AB1, HSP90AA1, HSP90AB2P SMN1; SMN2 2928/4885BRD4 2407/4885ALOX5 2909/4885
US-20060241106-A1 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P SMN1; SMN2 2977/4885BRD4 2126/4885ALOX5 3173/4885
US-10413550-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P SMN1; SMN2 2968/4885BRD4 2399/4885ALOX5 2892/4885
US-11234987-B2 Isoxazole compounds as inhibitors of heat shock proteins HSP90AB1, HSP90AA1, HSP90AB2P SMN1; SMN2 2928/4885BRD4 2407/4885ALOX5 2909/4885

“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.