SCHEMBL3558677

SCHEMBL3558677

Cc1cc(C(F)(F)F)n(-c2ccc(C=C(C#N)c3ccc(F)cc3F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
MAPT P10636 6/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 3/20 0.35
TP53 P04637 1/20 0.35
KIF20A O95235 1/20 0.35
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
PPARD Q03181 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3558675 1.00 ALDH1A1 (0.37) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3562070 0.92 ALDH1A1 (0.37) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3562068 0.92 ALDH1A1 (0.37) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3558311 0.86 ALDH1A1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3558315 0.86 ALDH1A1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3559317 0.85 ALDH1A1 (0.39) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3559319 0.85 ALDH1A1 (0.39) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3559540 0.84 MAPT (0.43) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3559537 0.84 MAPT (0.43) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL3563605 0.83 MAPT (0.40) ALDH1A1MAPTLMNASMN1; SMN2NPSR1

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-7705029-B2 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-04-27 US disclosed
EP-1732900-A4 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2007-12-12 EP disclosed
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-11-22 US disclosed
US-7202232-B2 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-04-10 US disclosed
EP-1732900-A2 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
US-20050272699-A1 Acrylonitrile derivatives for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2005-12-08 US disclosed
WO-2005091752-A2 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2005-10-06 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-20050272699-A1 Acrylonitrile derivatives for inflammation and immune-related uses IL1B, IL6, TLR4 ALDH1A1 472/4885MAPT 643/4885LMNA 3197/4885
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES IL1B, IL6, TLR4 ALDH1A1 472/4885MAPT 643/4885LMNA 3197/4885

“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.