SCHEMBL169824

SCHEMBL169824

CNC(=S)NC(=O)Cc1ccc(OC)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.76
RAB9A P51151 1/20 0.64
HTT P42858 1/20 0.63
CRHBP P24387 2/20 0.61
CRHR2 Q13324 2/20 0.61
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 4/20 0.58
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.52
EPHX2 P34913 1/20 0.51
GAA P10253 1/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL14817500 0.85 RAB9A (0.61) TDP1RAB9AHTTCRHBPCRHR2
SCHEMBL3369060 0.83 HTT (0.76) TDP1RAB9AHTTKMT2AALDH1A1
SCHEMBL15074682 0.83 TDP1 (0.54) TDP1RAB9ACRHBPCRHR2KMT2A
SCHEMBL17993501 0.83 HTT (0.65) TDP1RAB9AHTTCRHBPCRHR2
SCHEMBL14873200 0.82 LMNA (0.57) TDP1RAB9ACRHBPCRHR2KMT2A
SCHEMBL8336596 0.82 TDP1 (0.53) TDP1RAB9AHTTCRHBPCRHR2
SCHEMBL10928682 0.81 HTT (0.63) TDP1RAB9AHTTCRHBPCRHR2
SCHEMBL171965 0.81 LMNA (0.55) TDP1RAB9AHTTCRHBPCRHR2
SCHEMBL171948 0.81 KMT2A (0.78) TDP1HTTKMT2AALDH1A1LMNA
SCHEMBL171909 0.80 CRHBP (0.58) TDP1RAB9ACRHBPCRHR2KMT2A

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
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 US disclosed
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-06-27 US disclosed
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 EP 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-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET TDP1 2357/4885RAB9A 2424/4885HTT 566/4885

“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.