SCHEMBL4903260

SCHEMBL4903260

Nc1ccn(OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.41
TSHR P16473 2/20 0.40
DHFR P00374 7/20 0.39
ALDH1A1 P00352 2/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SLC6A2 P23975 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
LTA4H P09960 1/20 0.35
MAPK14 Q16539 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
SCHEMBL1680931 0.80 LOXL2 (0.45) MAOBMAOAGAAMAPTRAB9A
SCHEMBL4913335 0.79 TSHR (0.41) MAOBSMN1; SMN2L3MBTL1IDO1AGXT
SCHEMBL4906140 0.79 IDO1 (0.46) MAOBMAOAGAAMAPTRAB9A
SCHEMBL1680845 0.76 TSHR (0.45) L3MBTL1IDO1AGXTTSHRALDH1A1
SCHEMBL27792150 0.76 TSHR (0.50) L3MBTL1IDO1AGXTTSHRALDH1A1
SCHEMBL1680392 0.74 MAOA (0.44) MAOBMAOAMAPTRAB9ASMN1; SMN2
SCHEMBL28325265 0.73 ALDH1A1 (0.49) MAPTSMN1; SMN2IDO1AGXTTSHR
SCHEMBL4912600 0.71 IDO1 (0.39) MAOBMAOAGAAMAPTRAB9A
SCHEMBL4912485 0.71 MAOB (0.41) MAOBMAOAGAAMAPTRAB9A
SCHEMBL4914844 0.71 MAOA (0.40) MAOBMAOAGAAMAPTRAB9A

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
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
EP-1781241-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US disclosed
WO-2006026488-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO 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 (2 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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 MAOB 496/4885MAOA 214/4885GAA 3499/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 MAOB 496/4885MAOA 214/4885GAA 3499/4885

“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.