SCHEMBL2491635

SCHEMBL2491635

c1ccc(-c2nccc(CN3CCCCC3)c2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.50
ADORA1 P30542 3/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
GRIN2B Q13224 1/20 0.44
MAPK10 P53779 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
BRD4 O60885 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL17119915 0.82 TRPV1 (0.52) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL13869099 0.76 CYP2D6 (0.65) ALDH1A1KDM4EHPGDHSD17B10CYP2D6
SCHEMBL17119916 0.73 HRH3 (0.50) CYP2D6CYP1A2OPRK1CYP2C19
SCHEMBL2489517 0.73 ADORA2A (0.46) ADORA2AADORA1ALDH1A1KDM4ECYP2D6
SCHEMBL9052397 0.73 PTGS1 (0.38) ADORA2AKDM4ERAB9AKMT2ANPC1
SCHEMBL5309860 0.73 HTR2B (0.37) ADORA2AADORA1ALDH1A1KDM4EHPGD
SCHEMBL2494339 0.73 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL29986186 0.73 PTGS1 (0.46) ALDH1A1LMNATP53MAPTL3MBTL1
SCHEMBL807235 0.72 KDM4E (0.68) ALDH1A1KDM4ECYP2D6CYP1A2RAB9A
SCHEMBL31010255 0.72 KDM4E (0.68) ALDH1A1KDM4ECYP2D6CYP1A2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
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 ADORA2A 2008/4885ADORA1 642/4885ALDH1A1 1292/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 ADORA2A 1837/4885ADORA1 637/4885ALDH1A1 1031/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R ADORA2A 1851/4885ADORA1 619/4885ALDH1A1 1187/4885

“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.