SCHEMBL2494538

SCHEMBL2494538

NCCOCc1cccc(-c2ccccc2F)c1-c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
MAOB P27338 4/20 0.39
TAAR1 Q96RJ0 2/20 0.38
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
PDK2 Q15119 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR7 P34969 1/20 0.31
USP7 Q93009 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP14 Q460N5 1/20 0.31
PARP10 Q53GL7 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL2491327 0.91 IDO1 (0.38) IDO1MAOBTAAR1ALDH1A1MAPK1
SCHEMBL2491941 0.86 CHRM3 (0.35) IDO1MAOBALDH1A1RAB9ANPC1
SCHEMBL2493517 0.84 GBA1 (0.35) IDO1ALDH1A1PDK2CHRM3CD274
SCHEMBL2495001 0.80 TAAR1 (0.40) MAOBTAAR1MAPK1RAB9ATP53
SCHEMBL2495623 0.79 TAAR1 (0.46) IDO1TAAR1ALDH1A1MAPK1RAB9A
SCHEMBL2491622 0.73 TAAR1 (0.43) IDO1TAAR1ALDH1A1MAPK1HTR7
SCHEMBL2491638 0.72 TAAR1 (0.38) MAOBTAAR1HTR7
SCHEMBL10458290 0.69 IDO1 (0.55) IDO1MAOBTAAR1ALDH1A1MAPK1
SCHEMBL19675835 0.69 TAAR1 (0.39) IDO1TAAR1ALDH1A1MAPK1MEN1
SCHEMBL4614172 0.68 HTR1B (0.53) RAB9AMEN1NPC1KMT2APARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 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 (3 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-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH IDO1 275/4885MAOB 30/4885TAAR1 225/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 IDO1 267/4885MAOB 29/4885TAAR1 194/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R IDO1 320/4885MAOB 34/4885TAAR1 225/4885

“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.