SCHEMBL2492869

SCHEMBL2492869

CCNc1ccccc1[C](c1ccccc1NCC)c1ccccc1NCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
FABP4 P15090 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
AGTR1 P30556 1/20 0.39
RAB9A P51151 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PLK1 P53350 1/20 0.37
KMT2A Q03164 3/20 0.37

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
SCHEMBL2493412 0.83 IDO1 (0.50) IDO1KDM4EGLAALDH1A1HPGD
SCHEMBL2001238 0.83 FABP4 (0.48) IDO1FABP4KDM4EGLAJAK2
SCHEMBL184136 0.81 ALDH1A1 (0.62) FABP4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2557198 0.81 IDO1 (0.43) IDO1FABP4KDM4EGLAJAK2
SCHEMBL18967133 0.81 IDO1 (0.43) IDO1FABP4KDM4EGLAJAK2
SCHEMBL6088062 0.81 JAK2 (0.48) IDO1FABP4KDM4EGLAJAK2
SCHEMBL526384 0.80 IDO1 (0.52) IDO1FABP4ALDH1A1CYP3A4TSHR
Water SCHEMBL8638678 0.79 IDO1 (0.42) IDO1FABP4KDM4EGLAJAK2
SCHEMBL2493442 0.79 TSHR (0.50) KDM4EGLAALDH1A1HPGDHSD17B10
Water SCHEMBL1144744 0.79 IDO1 (0.42) IDO1FABP4KDM4EGLAJAK2

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 IDO1 275/4885FABP4 4770/4885KDM4E 2772/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 IDO1 267/4885FABP4 4692/4885KDM4E 3096/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R IDO1 320/4885FABP4 4714/4885KDM4E 3125/4885

“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.