SCHEMBL2493412

SCHEMBL2493412

CCCNc1ccccc1[C](c1ccccc1NCCC)c1ccccc1NCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
KDM6B O15054 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 3/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.39
PLK1 P53350 1/20 0.39
MAPK1 P28482 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL2493442 0.88 TSHR (0.50) KDM4EGLAALDH1A1HPGDHSD17B10
SCHEMBL2492869 0.83 IDO1 (0.47) IDO1KDM4EGLAALDH1A1HPGD
SCHEMBL1902821 0.82 HPGD (0.69) KDM4EGLAALDH1A1HPGDHSD17B10
SCHEMBL14470975 0.82 KDM4E (0.51) IDO1KDM4EGLAALDH1A1HPGD
SCHEMBL11512622 0.82 IDO1 (0.55) IDO1KDM4EGLAHTTMAPT
SCHEMBL3667555 0.81 KDM4E (0.46) IDO1KDM4EGLAALDH1A1HPGD
SCHEMBL5392212 0.81 KDM4E (0.58) IDO1KDM4EGLAALDH1A1HPGD
SCHEMBL20274413 0.81 KDM4E (0.50) IDO1KDM4EGLAALDH1A1HPGD
SCHEMBL963365 0.80 L3MBTL1 (0.49) IDO1KDM4EGLAALDH1A1HPGD
SCHEMBL7819029 0.80 KDM4E (0.76) KDM4EGLAALDH1A1HSD17B10HTT

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 275/4885KDM4E 2772/4885GLA 1168/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 IDO1 267/4885KDM4E 3096/4885GLA 1193/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R IDO1 320/4885KDM4E 3125/4885GLA 1204/4885

“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.