SCHEMBL2493417

SCHEMBL2493417

CCN(CC)c1ccccc1[C](c1ccccc1N(CC)CC)c1ccccc1N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
TP53 P04637 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
CNR2 P34972 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOX1 Q9Y5S8 1/20 0.35

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
SCHEMBL3274550 0.83 TP53 (0.36) TSHRTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL166160 0.83 TP53 (0.61) TSHRTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL7673381 0.83 TP53 (0.36) TSHRTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL2494360 0.83 TP53 (0.47) TSHRTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL1668024 0.81 TP53 (0.53) TSHRTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL136256 0.81 TP53 (0.35) TSHRTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL26444540 0.81 SMN1; SMN2 (0.44) TSHRTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL31718395 0.80 TSHR (0.46) TSHRTP53MAPTALDH1A1GAA
SCHEMBL6299189 0.80 TSHR (0.46) TSHRTP53MAPTALDH1A1GAA
SCHEMBL2277488 0.79 TP53 (0.34) TSHRTP53SMN1; SMN2MAPTALDH1A1

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 TSHR 100/4885TP53 4826/4885SMN1; SMN2 3632/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 TSHR 75/4885TP53 4797/4885SMN1; SMN2 3663/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R TSHR 68/4885TP53 4787/4885SMN1; SMN2 3592/4885

“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.