SCHEMBL1798545

SCHEMBL1798545

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSP90AA1 P07900 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABL1 P00519 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RIN1 Q13671 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
SCHEMBL1799111 0.81 ALDH1A1 (0.39) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1797641 0.79 RAB9A (0.44) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1798551 0.77 CLK1 (0.42) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1797130 0.76 RXFP1 (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1800204 0.69 S1PR1 (0.39) ALDH1A1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL2323109 0.67 L3MBTL1 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL6089308 0.64 L3MBTL1 (0.56) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL16340590 0.64 CHRM4 (0.46) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3814103 0.64 GAA (0.69) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4108626 0.63 HDAC1 (0.63) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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 KDM4E 1127/4885ALDH1A1 2314/4885HPGD 2698/4885

“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.