SCHEMBL3112985

SCHEMBL3112985

COC(=O)c1cc(Br)oc1CSC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 4/20 0.36
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 4/20 0.34
ATM Q13315 1/20 0.34
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
MAPT P10636 3/20 0.33
CA1 P00915 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
NR4A2 P43354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL16564102 0.83 NPC1 (0.40) KMT2AHTTHSD17B10ALDH1A1KDM4E
SCHEMBL28592709 0.82 KMT2A (0.41) KMT2AHTTHSD17B10ALDH1A1KDM4E
SCHEMBL1674226 0.82 KMT2A (0.41) KMT2AHTTHSD17B10ALDH1A1KDM4E
SCHEMBL3095786 0.81 KMT2A (0.40) KMT2AHTTHSD17B10ALDH1A1KDM4E
SCHEMBL28595161 0.79 HSD17B10 (0.42) KMT2AHTTHSD17B10ALDH1A1KDM4E
SCHEMBL3109691 0.77 HSD17B10 (0.38) KMT2AHTTHSD17B10ALDH1A1KDM4E
SCHEMBL3102451 0.76 ALDH1A1 (0.49) KMT2AHTTHSD17B10ALDH1A1KDM4E
SCHEMBL28598339 0.75 MAOA (0.42) KMT2AHTTHSD17B10ALDH1A1KDM4E
SCHEMBL625321 0.74 KMT2A (0.45) KMT2AHTTHSD17B10ALDH1A1KDM4E
SCHEMBL1598651 0.73 ALDH1A1 (0.46) KMT2AHTTHSD17B10ALDH1A1KDM4E

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR KMT2A 2159/4885HTT 1667/4885HSD17B10 1199/4885

“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.