SCHEMBL3770989

SCHEMBL3770989

N#CSCC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 1/20 0.57
HIF1A Q16665 1/20 0.57
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 4/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
HTT P42858 2/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GABRA1 P14867 6/20 0.46
GABRG2 P18507 6/20 0.46

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
SCHEMBL3761650 0.80 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL30377988 0.80 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL11416481 0.78 TSHR (0.50) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL7806257 0.78 ALDH1A1 (0.62) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL954348 0.78 ALDH1A1 (0.62) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL29487646 0.78 ALDH1A1 (0.62) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL6942669 0.77 ALDH1A1 (0.61) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL1038187 0.76 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AERCC5FEN1
SCHEMBL3765830 0.74 MAPT (0.52) ALDH1A1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL3767429 0.74 ALDH1A1 (0.59) ALDH1A1TSHRMAPTKMT2AERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194473-A1 IMIDAZOLE FUNGICIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-10 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 ALDH1A1 353/4885MAPK1 2636/4885HIF1A 46/4885
US-20140194473-A1 IMIDAZOLE FUNGICIDES CYP1A1, CYP1B1, CYP2E1 ALDH1A1 407/4885MAPK1 1245/4885HIF1A 3576/4885

“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.