SCHEMBL1797641

SCHEMBL1797641

CCc1sc(C(C)=O)cc1-c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 3/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC9A1 P19634 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
MCL1 Q07820 2/20 0.37
PLAU P00749 1/20 0.36
C1S P09871 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1801548 0.81 PLAU (0.46) RAB9ASMN1; SMN2MAPTHTTHPGD
SCHEMBL1798551 0.80 CLK1 (0.42) RAB9ASMN1; SMN2MAPTHTTHPGD
SCHEMBL1798545 0.79 KDM4E (0.41) RAB9ASMN1; SMN2MAPTHTTHPGD
SCHEMBL1800204 0.77 S1PR1 (0.39) RAB9ASMN1; SMN2MAPTHPGDALDH1A1
SCHEMBL1801983 0.77 MAPK14 (0.42) RAB9ASMN1; SMN2MAPTHTTHPGD
SCHEMBL24384891 0.72 HPGD (0.39) SMN1; SMN2MAPTHTTHPGDALDH1A1
SCHEMBL1802291 0.70 PLAU (0.47) RAB9AHPGDALDH1A1KDM4EMEN1
SCHEMBL1800329 0.68 USP2 (0.67) RAB9ASMN1; SMN2MAPTHTTHPGD
SCHEMBL5924638 0.67 HPGD (0.57) SMN1; SMN2MAPTHTTHPGDALDH1A1
SCHEMBL1801707 0.66 PLK1 (0.43) SMN1; SMN2MAPTHTTHPGDALDH1A1

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-7951794-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-31 US disclosed
US-20100075946-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-25 US disclosed
EP-1896446-A1 NOVEL THIOPHENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-12 EP disclosed
WO-2006137019-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-28 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 (1 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-20100075946-A1 NOVEL THIOPHENE DERIVATIVES TPMT, TSLP, NFATC1 RAB9A 1601/4885SMN1; SMN2 4863/4885MAPT 2356/4885

“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.