SCHEMBL364765

SCHEMBL364765

COc1ccc(C(=O)CC(c2ccc(Br)cc2)c2scnc2C)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.40
NNMT P40261 2/20 0.39
KCNH2 Q12809 1/20 0.38
GPR35 Q9HC97 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
KMT2A Q03164 2/20 0.34
CTSA P10619 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAPT P10636 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
SCHEMBL1390214 0.79 CTSA (0.45) GPR183NNMTKCNH2KMT2ACTSA
SCHEMBL1390215 0.79 CTSA (0.45) GPR183NNMTKCNH2KMT2ACTSA
SCHEMBL1390664 0.79 CTSA (0.45) GPR183NNMTKCNH2KMT2ACTSA
SCHEMBL369294 0.78 GAA (0.40) KMT2A
SCHEMBL1390283 0.76 CTSA (0.44) GPR183NNMTKCNH2KMT2ACTSA
SCHEMBL371297 0.76 MGAM (0.42) GPR183NNMTKCNH2KMT2AGRIN2B
SCHEMBL368577 0.76 KMT2A (0.33) KMT2A
SCHEMBL1390485 0.76 KMT2A (0.45) GPR183NNMTKCNH2KMT2A
SCHEMBL362959 0.76 GPR183 (0.39) GPR183NNMTKCNH2GPR35GPR55
SCHEMBL1390365 0.76 GPR183 (0.39) GPR183NNMTKCNH2KMT2ACTSA

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPR183 80/4885NNMT 3132/4885KCNH2 1276/4885

“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.