SCHEMBL2489302

SCHEMBL2489302

c1ccc([C](c2ccccn2)c2ccccn2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
L3MBTL1 Q9Y468 3/20 0.61
LMNA P02545 3/20 0.61
P4HTM Q9NXG6 2/20 0.61
NAPRT Q6XQN6 1/20 0.61
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 5/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
PKM P14618 4/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54

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
SCHEMBL1260719 0.85 KMT2A (0.63) CES2CES1L3MBTL1LMNAP4HTM
SCHEMBL28465997 0.82 CES2 (0.64) CES2CES1L3MBTL1LMNAP4HTM
SCHEMBL23340688 0.80 LMNA (0.65) CES2CES1L3MBTL1LMNAP4HTM
SCHEMBL5642554 0.80
SCHEMBL2234091 0.80 LMNA (0.65) CES2CES1L3MBTL1LMNAP4HTM
SCHEMBL2141120 0.80 LMNA (0.65) CES2CES1L3MBTL1LMNAP4HTM
2-Picolinic Acid SCHEMBL2168036 0.79 LMNA (0.95) CES2CES1L3MBTL1LMNAP4HTM
SCHEMBL211487 0.78 CES2 (1.00) CES2CES1L3MBTL1LMNAP4HTM
SCHEMBL87791 0.78 KMT2A (0.75) CES2CES1L3MBTL1LMNAP4HTM
SCHEMBL11088701 0.78 CES2 (0.58) CES2CES1L3MBTL1LMNAP4HTM

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 CES2 1159/4885CES1 1000/4885L3MBTL1 895/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CES2 1334/4885CES1 1119/4885L3MBTL1 644/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CES2 1170/4885CES1 1149/4885L3MBTL1 680/4885

“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.