SCHEMBL4665676

SCHEMBL4665676

Nc1ccc(Nc2cccc3c2CCN3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
APP P05067 1/20 0.46
HPGD P15428 1/20 0.46
SNCA P37840 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTT P42858 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX12 P18054 1/20 0.39
P2RX7 Q99572 2/20 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
SCHEMBL21605136 0.76 NOTUM (0.40) P2RX7NOTUMPARP1BCHEACHE
Hydrochloric Acid SCHEMBL21598427 0.75 NOTUM (0.39) ALDH1A1L3MBTL1P2RX7NOTUMPARP1
SCHEMBL20462066 0.73 NOTUM (0.40) P2RX7NOTUMPARP1
SCHEMBL6583555 0.72 ADRA2A (0.56) BLMCYP2C9CYP2C19MEN1LMNA
SCHEMBL3478127 0.71 EGFR (0.53) MAPTKDM4EALOX15TP53APP
SCHEMBL126414 0.70 PARP1 (0.56) NOTUMPARP1BCHEACHE
SCHEMBL257377 0.70 GAA (0.45) MAPTKDM4EALDH1A1L3MBTL1CYP1A2
SCHEMBL4667373 0.70 MAPT (0.44) MAPTKDM4EALOX15TP53APP
SCHEMBL31454751 0.69 MAPT (0.78) MAPTKDM4EALOX15TP53APP
SCHEMBL28227757 0.69 P2RX7 (0.37) ALDH1A1P2RX7NOTUMPARP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982748-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter & Gamble (US) 2008-10-22 EP claimed
US-7303592-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2005-09-01 US claimed
EP-1982749-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter and Gamble Company (US) 2008-10-22 EP disclosed
EP-1982748-A2 Novel hair colouring compositions for use in oxidative hair dyeing The Procter & Gamble (US) 2008-10-22 EP disclosed
US-7303592-B2 Hair coloring compositions for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2005-09-01 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 (1 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-20050188480-A1 Novel hair coloring compositions for use in oxidative hair dyeing COXFA4L2, TYR, GPX4 MAPT 2769/4885KDM4E 2480/4885ALOX15 1606/4885

“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.