SCHEMBL6667972

SCHEMBL6667972

Oc1c(C(=S)NCc2ccc(Cl)cc2)cnc2ccc(I)cc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
QPCT Q16769 1/20 0.39
MCL1 Q07820 1/20 0.36
EGFR P00533 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MAOB P27338 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL7843275 0.87 QPCT (0.39) TRPV1QPCTMCL1EGFRMAPT
SCHEMBL6198072 0.86 EGLN1 (0.47) MEN1KMT2AALDH1A1POLBEGLN1
SCHEMBL7845751 0.81 MAPT (0.48) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7834787 0.79 MELK (0.46) EGFRALDH1A1
SCHEMBL6196111 0.77 EGLN1 (0.47) MEN1KMT2AALDH1A1POLBEGLN1
SCHEMBL6198849 0.76 EGLN1 (0.51) MEN1KMT2AALDH1A1POLBEGLN1
SCHEMBL7844458 0.76 F10 (0.33) MEN1KMT2A
SCHEMBL7844460 0.76 F10 (0.33) MEN1KMT2A
SCHEMBL6198289 0.75 NR3C1 (0.48) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6194761 0.74 POLA1 (0.54) MEN1KMT2AALDH1A1POLBEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 US claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US claimed
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 US disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US 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-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 TRPV1 4690/4885QPCT 2058/4885MCL1 3054/4885

“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.