SCHEMBL18158931

SCHEMBL18158931

COC(=O)c1ccc(SBr)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.59
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL247044 0.84 MAPK1 (0.61) MAPK1KDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL6420271 0.79 MAPK1 (0.54) MAPK1KDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL25254764 0.78 MAPK1 (0.57) MAPK1KDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL4220911 0.78 CXCR2 (0.56) MAPK1KDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL8806506 0.78 MAPK1 (0.54) MAPK1KDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL424411 0.77 MAPK1 (0.65) MAPK1KDM4EL3MBTL1ALDH1A1CA1
SCHEMBL29568623 0.77 MAPK1 (0.65) MAPK1KDM4EL3MBTL1ALDH1A1CA1
SCHEMBL796584 0.76 MAPK1 (0.51) MAPK1KDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL25219858 0.76 ALDH1A1 (0.54) MAPK1KDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL29651058 0.76 MAPK1 (0.69) MAPK1KDM4EL3MBTL1ALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2016-10-20 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-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR VIP, MRPL21, THEM6 MAPK1 688/4885KDM4E 4608/4885L3MBTL1 2541/4885

“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.