SCHEMBL363530

SCHEMBL363530

CCCC(CC(=O)c1ccc(OC)nc1)c1ccc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.39
GPR183 P32249 6/20 0.38
MAPT P10636 1/20 0.36
KCNH2 Q12809 1/20 0.36
GABRA1 P14867 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
GRIN2B Q13224 1/20 0.34
APLNR P35414 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
SCHEMBL365735 0.83 NNMT (0.44) NNMTGPR183MAPTKCNH2GABRA1
SCHEMBL1390216 0.81 CTSA (0.41) NNMTGPR183KCNH2GRIN2B
SCHEMBL369278 0.79 GPR183 (0.38) NNMTGPR183KCNH2GRIN2B
SCHEMBL1390583 0.79 GPR183 (0.39) NNMTGPR183MAPTKCNH2MKNK1
SCHEMBL362959 0.78 GPR183 (0.39) NNMTGPR183MAPTKCNH2
SCHEMBL362682 0.77 KMT2A (0.44) NNMTGPR183KCNH2
SCHEMBL363535 0.77 GPR183 (0.42) NNMTGPR183MAPTKCNH2MKNK1
SCHEMBL1390365 0.76 GPR183 (0.39) NNMTGPR183MAPTKCNH2MKNK1
SCHEMBL1390353 0.76 EPHX2 (0.35) MAPT
SCHEMBL370462 0.76 SMO (0.36) GPR183GRIN2BAPLNR

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 NNMT 3132/4885GPR183 80/4885MAPT 4149/4885

“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.