SCHEMBL10101316

SCHEMBL10101316

O=C(Nc1ccc(C2=C(Cl)CCN(Cc3ccccc3)C2)cc1)c1c(F)cccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 4/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.49
NOD1 Q9Y239 4/20 0.48
TNF P01375 3/20 0.48
NOD2 Q9HC29 3/20 0.48
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 1/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43

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
SCHEMBL3825106 0.89 SMN1; SMN2 (0.54) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL986835 0.89 MAPT (0.54) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL986997 0.87 MAPT (0.54) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL10101310 0.86 SMN1; SMN2 (0.53) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL14093295 0.83 MEN1 (0.51) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL14432694 0.82 MAPT (0.49) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL616653 0.81 CHRM5 (0.54) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL10101309 0.81 MAPT (0.49) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL614008 0.78 MAPT (0.44) SMN1; SMN2MAPTRAB9AMEN1KMT2A
SCHEMBL987592 0.77 RAB9A (0.51) SMN1; SMN2MAPTRAB9AMEN1KMT2A

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-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

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 4741/4885MAPT 3731/4885RAB9A 2612/4885
US-20100292252-A1 VINYL-ARYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES MALT1, VCAM1, TSLP SMN1; SMN2 4741/4885MAPT 3731/4885RAB9A 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.