SCHEMBL462513

SCHEMBL462513

Nc1ccc(N)c(-c2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
KDM4E B2RXH2 8/20 0.48
LMNA P02545 4/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
TP53 P04637 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 6/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
RAB9A P51151 5/20 0.47
PKM P14618 3/20 0.47
MAPT P10636 3/20 0.47

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 SCHEMBL7085962 0.98 KDM1A (0.48) KDM1AKDM4ELMNACCR1CCR5
Hydrochloric Acid SCHEMBL7085954 0.98 KDM1A (0.48) KDM1AKDM4ELMNACCR1CCR5
Hydrochloric Acid SCHEMBL7085964 0.98 KDM1A (0.48) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL16405693 0.86 KDM4E (0.50) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL7468150 0.82 NPC1 (0.48) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL25393432 0.81 PLA2G7 (0.50) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL8010465 0.81 METAP1 (0.45) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL2647830 0.81 KDM1A (0.47) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL30429976 0.81 KDM1A (0.47) KDM1AKDM4ELMNACCR1CCR5
SCHEMBL1016812 0.81 SMN1; SMN2 (0.49) KDM1AKDM4ELMNACCR1CCR5

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 161 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4445553-B2 2010-04-07 JP claimed
US-7632591-B2 Branched multiblock polybenzimidazole-benzamide copolymer and method for preparing the same, electrolyte membrane and paste/gel prepared therefrom LG CHEM, LTD. (KR) 2009-12-15 US claimed
JP-2008512561-A 2008-04-24 JP claimed
WO-2007055459-A1 BRANCHED MULTIBLOCK POLYBENZIMIDAZOLE-BENZAMIDE COPOLYMER AND METHOD FOR PREPARING THE SAME, ELECTROLYTE MEMBRANE AND PASTE/GEL PREPARED THEREFROM LG CHEM, LTD. (KR) 2007-05-18 WO claimed
US-20070111075-A1 Branched multiblock polybenzimidazole-benzamide copolymer and method for preparing the same, electrolyte membrane and paste/gel prepared therefrom LG CHEM, LTD. (KR) 2007-05-17 US claimed
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP claimed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US claimed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP claimed
US-12133906-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2024-11-05 US disclosed
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 US disclosed
US-20220409497-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2022-12-29 US disclosed
EP-3733827-A1 DELIVERY PARTICLES The Procter & Gamble Company (US) 2020-11-04 EP disclosed
EP-2563508-B1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-07-10 EP disclosed
EP-1642563-B1 Method of rapid hair dyeing NOXELL CORP (US) 2019-06-26 EP disclosed
EP-1484048-A1 Hair colouring compositions The Procter & Gamble Company (US) 2004-12-08 EP disclosed
US-20040237218-A1 Hair colouring compositions WELLA OPERATIONS US, LLC 2004-12-02 US disclosed
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP disclosed
US-6461388-B1 Diaminobenzene derivative compounds and dye compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
JP-2000344749-A DIAMINOBENZENE DERIVATIVE AND DYEING AGENT CONTAINING THE SAME WELLA AG 2000-12-12 JP disclosed
EP-1052252-A1 Diaminobenzene derivatives and dyeing preparations containing them Wella Aktiengesellschaft (DE) 2000-11-15 EP 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 (4 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-20220409497-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 KDM1A 4625/4885KDM4E 4662/4885LMNA 1581/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 KDM1A 4625/4885KDM4E 4662/4885LMNA 1581/4885
US-20040237218-A1 Hair colouring compositions COXFA4L2, CYBA, MT-CO3 KDM1A 615/4885KDM4E 1189/4885LMNA 455/4885
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 KDM1A 439/4885KDM4E 854/4885LMNA 4511/4885

“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.