SCHEMBL10101310

SCHEMBL10101310

O=C(Nc1ccc(C2=C(CO)CN(Cc3ccccc3)CC2)cc1)c1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.47
NOD1 Q9Y239 4/20 0.46
TNF P01375 3/20 0.46
NOD2 Q9HC29 3/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
NAMPT P43490 1/20 0.43
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42

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
SCHEMBL14432694 0.88 MAPT (0.49) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL10101309 0.87 MAPT (0.49) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL986997 0.87 MAPT (0.54) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL10101316 0.86 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL3825106 0.85 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL986835 0.85 MAPT (0.54) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL616653 0.82 CHRM5 (0.54) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL14093295 0.80 MEN1 (0.51) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL12923873 0.79 IL2 (0.45) SMN1; SMN2RAB9AMEN1KMT2ATNF
SCHEMBL12949403 0.78 IL2 (0.40) SMN1; SMN2RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349841-B2 Vinyl-aryl derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-01-08 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-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
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-11-18 US 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 (2 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-20120040997-A9 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP SMN1; SMN2 4741/4885RAB9A 2612/4885MEN1 4794/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP SMN1; SMN2 4741/4885RAB9A 2612/4885MEN1 4794/4885

“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.