SCHEMBL3558103

SCHEMBL3558103

Cc1cc(C(F)(F)F)n(-c2ccc(/C=C(\C#N)C(=O)c3cc(F)ccc3F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
CES2 O00748 1/20 0.35

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
SCHEMBL3558108 1.00 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3558311 0.93 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3558315 0.93 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3562070 0.86 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3562068 0.86 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3563091 0.86 MAPT (0.38) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3563088 0.86 MAPT (0.38) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3563366 0.86 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3563369 0.86 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3566754 0.82 ORAI1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA

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 643/4885MEN1 3403/4885
US-20070270478-A1 ACRYLONITRILE DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES IL1B, IL6, TLR4 ALDH1A1 472/4885MAPT 643/4885MEN1 3403/4885

“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.