SCHEMBL693662

SCHEMBL693662

Nc1cccc(NCc2ccco2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
POLB P06746 2/20 0.59
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
MAPT P10636 6/20 0.50
GAA P10253 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
KCNH3 Q9ULD8 2/20 0.49
SHMT2 P34897 1/20 0.47
LMNA P02545 7/20 0.47
HPGD P15428 3/20 0.47
PKM P14618 2/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
BACE1 P56817 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44

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
Hydrochloric Acid SCHEMBL454706 0.98 NPC1 (0.58) NPC1POLBALDH1A1KDM4EMAPT
SCHEMBL456092 0.81 GAA (0.58) NPC1ALDH1A1KDM4EMAPTGAA
SCHEMBL13605317 0.80 ALDH1A1 (0.54) NPC1POLBALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL10992513 0.79 GAA (0.56) NPC1ALDH1A1KDM4EMAPTGAA
Hydrochloric Acid SCHEMBL28144970 0.79 NPC1 (0.42) NPC1POLBALDH1A1KDM4EMAPT
SCHEMBL2805209 0.78 ALDH1A1 (0.68) NPC1POLBALDH1A1KDM4EMAPT
SCHEMBL9448358 0.77 MAPT (0.57) NPC1POLBALDH1A1KDM4EMAPT
SCHEMBL31710950 0.76 PRMT6 (0.54) NPC1POLBALDH1A1KDM4EMAPT
SCHEMBL5612632 0.76 ALDH1A1 (0.47) NPC1POLBALDH1A1KDM4EMAPT
SCHEMBL10793938 0.75 ALDH1A1 (0.52) NPC1POLBALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280791-B1 N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVE-CONTAINING DYES FOR KERATIN FIBERS AND NOVEL N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVES WELLA AG (DE) 2006-05-03 EP claimed
US-6997961-B2 N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives WELLA AG (DE) 2006-02-14 US claimed
US-20050081310-A1 N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2005-04-21 US claimed
EP-1280791-A1 N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVE-CONTAINING DYES FOR KERATIN FIBERS AND NOVEL N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVES Wella Aktiengesellschaft (DE) 2003-02-05 EP claimed
WO-2002072568-A1 N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVE-CONTAINING DYES FOR KERATIN FIBERS AND NOVEL N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 WO claimed
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed
EP-1781240-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
EP-1280791-B1 N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVE-CONTAINING DYES FOR KERATIN FIBERS AND NOVEL N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVES WELLA AG (DE) 2006-05-03 EP disclosed
WO-2006026487-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-6997961-B2 N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives WELLA AG (DE) 2006-02-14 US disclosed
US-20050081310-A1 N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2005-04-21 US disclosed
EP-1280791-A1 N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVE-CONTAINING DYES FOR KERATIN FIBERS AND NOVEL N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVES Wella Aktiengesellschaft (DE) 2003-02-05 EP disclosed
WO-2002072568-A1 N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVE-CONTAINING DYES FOR KERATIN FIBERS AND NOVEL N-HETEROARYLMETHYL-M-PHENYLENEDIAMINE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-09-19 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 (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-20050081310-A1 N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives KRT18, VIM, KPNB1 NPC1 2541/4885POLB 2402/4885ALDH1A1 1454/4885

“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.