SCHEMBL1798930

SCHEMBL1798930

CCc1sc(C(=O)C=Cc2ccc(C=O)cc2)cc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
MAPT P10636 8/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 3/20 0.40
TP53 P04637 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
BACE1 P56817 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1798929 1.00 BCHE (0.43) BCHEMAOAMAOBMAPTKMT2A
SCHEMBL1799983 0.78 PLAU (0.37) MAPTALDH1A1HPGDL3MBTL1PLAU
SCHEMBL1799981 0.78 PLAU (0.37) MAPTALDH1A1HPGDL3MBTL1PLAU
SCHEMBL1802291 0.76 PLAU (0.47) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL1801548 0.75 PLAU (0.46) MAPTALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL2323109 0.71 L3MBTL1 (0.53) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL10088620 0.70 CYP2A6 (0.40) MAPTMAPK1ALDH1A1KDM4EHSD17B10
SCHEMBL10088622 0.68 PELI1 (0.38) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL30383213 0.67 MAPT (0.78) BCHEMAOAMAOBMAPTKMT2A
SCHEMBL27598320 0.65 CYP1B1 (0.75) BCHEMAOAMAOBMAPTKMT2A

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
CN-101203503-B Novel thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-12-28 CN disclosed
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
CN-101203503-A Novel thiophene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-06-18 CN 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 BCHE 3482/4885MAOA 4583/4885MAOB 4403/4885

“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.