SCHEMBL457582

SCHEMBL457582

Nc1ccc(N)c(-c2nccs2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
PDPK1 O15530 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
NOS1 P29475 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 2/20 0.39
HDAC2 Q92769 2/20 0.39
FBP1 P09467 1/20 0.39
CHEK2 O96017 1/20 0.38
CYP2A6 P11509 1/20 0.37
GCK P35557 1/20 0.36
METAP1 P53582 1/20 0.36
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL4612966 0.98 HSP90AA1 (0.42) HSP90AA1PDPK1LOXL2ALDH1A1TSHR
SCHEMBL29654019 0.86 HSP90AA1 (0.46) HSP90AA1ALDH1A1TSHRNOS1HSD17B10
SCHEMBL6871106 0.85 HSP90AA1 (0.43) HSP90AA1PDPK1LOXL2ALDH1A1TSHR
SCHEMBL11896552 0.82 GCK (0.50) HSP90AA1PDPK1LOXL2ALDH1A1TSHR
SCHEMBL999144 0.82 SRC (0.42) HSP90AA1PDPK1LOXL2ALDH1A1TSHR
SCHEMBL996582 0.82 F2RL1 (0.49) HSP90AA1PDPK1LOXL2ALDH1A1TSHR
SCHEMBL11484681 0.82 HSP90AA1 (0.41) HSP90AA1PDPK1LOXL2ALDH1A1TSHR
SCHEMBL2652072 0.82 HSP90AA1 (0.41) HSP90AA1PDPK1LOXL2ALDH1A1TSHR
SCHEMBL11903297 0.82 ENPP3 (0.42) HSP90AA1PDPK1LOXL2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL10517968 0.81 F2RL1 (0.48) HSP90AA1PDPK1LOXL2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2011-05-12 US claimed
US-7678158-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2010-03-16 US claimed
US-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS LIM MU LLL 2009-06-11 US claimed
US-7507262-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2009-03-24 US claimed
EP-2018146-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS The Procter and Gamble Company (US) 2009-01-28 EP claimed
EP-1351945-B1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2008-01-23 EP claimed
WO-2007102126-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 WO claimed
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US claimed
US-6875873-B2 1,4-Diamino-2-(thiazol-2-yl)benzene derivatives, and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-04-05 US claimed
US-20030115683-A1 Novel 1,4-diamino-2-(thiazol-2-yl)benzene derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US claimed
US-12133906-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2024-11-05 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
US-20030115683-A1 Novel 1,4-diamino-2-(thiazol-2-yl)benzene derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US disclosed
US-20030115683-A1 Novel 1,4-diamino-2-(thiazol-2-yl)benzene derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US disclosed
US-20030115683-A1 Novel 1,4-diamino-2-(thiazol-2-yl)benzene derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 US disclosed
WO-2002057243-A1 NOVEL 1,4-DIAMINO-2-(THIAZOL-2-YL)BENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-07-25 WO disclosed
EP-0116297-A2 Polyimide laminate with peel-resistance and method of manufacturing it Akzo GmbH (DE) 1984-08-22 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 (6 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 HSP90AA1 269/4885PDPK1 3029/4885LOXL2 1125/4885
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 HSP90AA1 4/4885PDPK1 2370/4885LOXL2 4688/4885
US-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS KRT18, AKR7A2, AKR1C4 HSP90AA1 3166/4885PDPK1 3985/4885LOXL2 1603/4885
US-20030115683-A1 Novel 1,4-diamino-2-(thiazol-2-yl)benzene derivatives and dyes containing said compounds KRT18, DSP, TUBB1 HSP90AA1 1147/4885PDPK1 2136/4885LOXL2 805/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 HSP90AA1 269/4885PDPK1 3029/4885LOXL2 1125/4885
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions KRT18, AKR7A2, AKR1C4 HSP90AA1 3166/4885PDPK1 3985/4885LOXL2 1603/4885

“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.