SCHEMBL6132418

SCHEMBL6132418

COc1ccc(C(=O)N(NC(N)=S)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
PARP10 Q53GL7 2/20 0.49
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
PARP4 Q9UKK3 1/20 0.49
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
MAOB P27338 1/20 0.45
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL4027589 0.88 CA1 (0.51) CA1CA2PARP10PARP1PARP2
SCHEMBL11382303 0.85 ALDH1A1 (0.50) CA1CA2PARP10PARP1PARP2
SCHEMBL31676582 0.77 PTGS2 (0.55) CA1CA2MAPTNPC1RAB9A
SCHEMBL6804365 0.77 KDM4E (0.61) CA1CA2MAPTNPC1RAB9A
SCHEMBL11019906 0.76 KMT2A (0.49) CA1CA2PARP10PARP1PARP2
SCHEMBL6132335 0.75 NNMT (0.52) CA1CA2PARP10PARP1PARP2
SCHEMBL6132224 0.75 OXTR (0.49) CA1CA2PARP10PARP1PARP2
SCHEMBL27938796 0.74 MAPT (0.46) CA1CA2PARP10PARP1PARP2
SCHEMBL10480369 0.74 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL11567968 0.73 HPGD (0.57) MAPTNPC1RAB9ASMN1; SMN2GAA

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-6927230-B2 Triazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-09 US disclosed
EP-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US disclosed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 CA1 2790/4885CA2 1379/4885PARP10 2206/4885

“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.