SCHEMBL613596

SCHEMBL613596

CC1=C(c2ccc(NC(=O)c3c(F)cccc3F)nc2)CN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
IL2 P60568 1/20 0.42
BDKRB1 P46663 2/20 0.41
PTGER1 P34995 1/20 0.41
PDCD1 Q15116 5/20 0.40
CD274 Q9NZQ7 5/20 0.40
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1782027 0.87 ALDH1A1 (0.52) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL986835 0.86 MAPT (0.54) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL616649 0.81 IL2 (0.45) ALDH1A1KDM4EMAPTIL2GAA
SCHEMBL3945748 0.80 IL2 (0.44) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL613599 0.80 IL2 (0.42) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL616896 0.79 IL2 (0.42) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL8194123 0.79 IL2 (0.47) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL10101258 0.79 IL2 (0.45) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL986997 0.78 MAPT (0.54) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL8192641 0.78 ALDH1A1 (0.50) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338163-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHAMACEUTICALS CORP. (US) 2013-12-19 US disclosed
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 US disclosed
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 US disclosed
EP-2185514-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2010-05-19 EP disclosed
WO-2009017831-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-02-05 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-20130338163-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP ALDH1A1 407/4885KDM4E 444/4885RAB9A 2612/4885
US-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP ALDH1A1 407/4885KDM4E 444/4885RAB9A 2612/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP ALDH1A1 407/4885KDM4E 444/4885RAB9A 2612/4885

“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.