SCHEMBL6883103

SCHEMBL6883103

COC(=O)c1cc(-c2ccc(-n3ccnc3)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
ADH5 P11766 6/20 0.51
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
PORCN Q9H237 4/20 0.47
CYP3A4 P08684 2/20 0.47
BAZ2B Q9UIF8 1/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CYP2D6 P10635 1/20 0.44
ENPP2 Q13822 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
VCAM1 P19320 1/20 0.42

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
SCHEMBL6471796 0.87 ADH5 (0.63) HTTADH5PORCNCYP3A4BAZ2B
SCHEMBL6884312 0.83 ALDH1A1 (0.44) HTTMEN1ALOX15TSHRKMT2A
SCHEMBL6664021 0.81 MMP12 (0.51) MAPK8MAPK10CYP3A4
Hydrochloric Acid SCHEMBL6368823 0.80 MMP12 (0.50) MAPK8MAPK10CYP3A4
SCHEMBL1022965 0.76 HTT (1.00) HTTADH5MAPK8MAPK10CYP3A4
SCHEMBL6471725 0.74 MMP12 (0.77) CYP3A4KMT2ALMNACYP2D6
SCHEMBL6882926 0.74 ALAD (0.50) CYP3A4
SCHEMBL4429081 0.73 ALDH1A1 (0.51)
SCHEMBL6368361 0.73 ALAD (0.71) HTTKMT2ALMNAMAPT
SCHEMBL6704697 0.73 ALAD (0.71) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 HTT 3517/4885ADH5 377/4885MAPK8 3648/4885

“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.