SCHEMBL2492695

SCHEMBL2492695

[CH2]c1ccccc1-c1ccccc1NCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
USP2 O75604 3/20 0.45
CASP1 P29466 1/20 0.45
BRCA1 P38398 1/20 0.45
CASP7 P55210 1/20 0.45
IDO1 P14902 2/20 0.43
MAPT P10636 7/20 0.40
POLB P06746 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MITF O75030 1/20 0.37
RECQL P46063 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1168220 0.87 IDO1 (0.52) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL2492175 0.85 MEN1 (0.47) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL2492356 0.85 IDO1 (0.46) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL3854211 0.83 IDO1 (0.44) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL2494990 0.82 ALDH1A1 (0.44) MEN1KMT2AUSP2CASP1IDO1
SCHEMBL21385504 0.77 KMT2A (0.42) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL2495564 0.77 MAPT (0.42) MEN1KMT2AUSP2IDO1MAPT
SCHEMBL3908445 0.76 POLB (0.44) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL3903024 0.76 PSIP1 (0.43) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL15349387 0.76 SMN1; SMN2 (0.49) MEN1KMT2AUSP2CASP1BRCA1

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 MEN1 1585/4885KMT2A 2108/4885USP2 3759/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 MEN1 1346/4885KMT2A 2219/4885USP2 3912/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R MEN1 1200/4885KMT2A 2287/4885USP2 3842/4885

“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.