SCHEMBL3879192

SCHEMBL3879192

Nc1ccc2[nH]c3ccc(N4CCCC4)cc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 2/20 0.50
AR P10275 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
IP6K1 Q92551 1/20 0.45

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
SCHEMBL3877522 0.83 ERCC1 (0.54) ALDH1A1HSD17B10MEN1GAAMAPT
SCHEMBL3878347 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10MEN1GAAMAPT
SCHEMBL29683700 0.78 PARP1 (0.61) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL29409549 0.78 PARP1 (0.61) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL64307 0.78 PARP1 (0.61) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL4008174 0.75 MAPT (0.49) ALDH1A1HSD17B10MEN1GAAMAPT
SCHEMBL22394444 0.75 PARP1 (0.59) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL14487030 0.73 JAK2 (0.59) ALDH1A1HSD17B10MEN1GAAMAPT
SCHEMBL30893007 0.73 ALDH1A1 (0.59) ALDH1A1HSD17B10MEN1GAAMAPT
SCHEMBL3873051 0.72 MAPT (0.49) ALDH1A1HSD17B10MEN1GAAMAPT

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
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885HSD17B10 529/4885MEN1 4857/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885HSD17B10 529/4885MEN1 4857/4885

“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.