SCHEMBL2539814

SCHEMBL2539814

Nc1ccc(NCCCn2ccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 3/20 0.57
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
QPCT Q16769 9/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
ATM Q13315 1/20 0.51
TBXAS1 P24557 1/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP19A1 P11511 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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 SCHEMBL5191266 0.98 SOD1 (0.56) SOD1CYP11B1CYP11B2QPCTNPC1
SCHEMBL11495035 0.86 SOD1 (0.67) SOD1QPCTNPC1RAB9AATM
SCHEMBL5837215 0.86 SOD1 (0.47) SOD1CYP11B1CYP11B2QPCTNPC1
Hydrochloric Acid SCHEMBL5842900 0.85 SOD1 (0.46) SOD1CYP11B1CYP11B2QPCTNPC1
SCHEMBL27418532 0.84 HMOX1 (0.61) SOD1CYP11B1CYP11B2QPCTNPC1
SCHEMBL5903394 0.84 NPC1 (0.55) SOD1CYP11B1CYP11B2QPCTNPC1
SCHEMBL24349153 0.83 TOP1 (0.43) SOD1QPCTNPC1RAB9AATM
SCHEMBL291484 0.80 QPCT (0.54) SOD1QPCTNPC1RAB9AATM
Hydrochloric Acid SCHEMBL19549172 0.79 QPCT (0.53) SOD1QPCTNPC1RAB9AATM
Hydrochloric Acid SCHEMBL4396866 0.79 QPCT (0.53) SOD1QPCTNPC1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014202150-A1 NEW CATIONIC DYES, KITS AND COMPOSITIONS THEREOF, AND PROCESS FOR DYEING KERATIN FIBERS ALFA PARF GROUP S.P.A. (IT) 2014-12-24 WO claimed
EP-1438294-B1 DEVELOPER CONSTITUENTS AND THEIR USE FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2007-12-05 EP claimed
EP-1800655-A1 Use of a combination of oniumaldehydes and imidazolylalkyl-substituted p-phenylenediamine derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 2007-06-27 EP claimed
US-7081140-B2 Developer components and their use for dyeing keratinic fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-07-25 US claimed
US-20040255402-A1 Developer components and their use for dyeing keratinic fibers HENKEL AG & CO. KGAA (DE) 2004-12-23 US claimed
US-11298304-B2 Two component hair treatment kit comprising a hair coloring cream and a developer composition comprising a specific tensioactive compound LABORATOIRE BIOSTHÉTIQUE KOSMETIK GMBH & CO. KG (DE) 2022-04-12 US disclosed
US-20210128427-A1 TWO COMPONENT HAIR TREATMENT KIT COMPRISING A HAIR COLORING CREAM AND A DEVELOPER COMPOSITION COMPRISING A SPECIFIC TENSIOACTIVE COMPOUND LABORATOIRE BIOSTHÉTIQUE KOSMETIK GMBH & CO. KG (DE) 2021-05-06 US disclosed
EP-3773435-A1 TWO COMPONENT HAIR TREATMENT KIT COMPRISING A HAIR COLORING CREAM AND A DEVELOPER COMPOSITION COMPRISING A SPECIFIC TENSIOACTIVE COMPOUND Laboratoire Biosthetique Kosmetik GmbH&Co. KG (DE) 2021-02-17 EP disclosed
CN-111936110-A Two-component hair treatment kit comprising a hair dye cream and a developer composition comprising specific surface-active compounds 科斯梅蒂克生物技术实验室有限公司 2020-11-13 CN disclosed
CN-106794127-B Permanent hair dye based on an emulsion-like vehicle and a combination of tris (hydroxymethyl) aminomethane, at least one amino acid and an oxidation dye HCT-头发化妆品技术股份公司 2020-05-29 CN disclosed
WO-2019185127-A1 TWO COMPONENT HAIR TREATMENT KIT COMPRISING A HAIR COLORING CREAM AND A DEVELOPER COMPOSITION COMPRISING A SPECIFIC TENSIOACTIVE COMPOUND HCT - HAIR COSMETIC TECHNOLOGY AG (CH) 2019-10-03 WO disclosed
EP-2979683-B1 Permanent hair colorants based on a cream-like carrier and a combination of tris(hydroxymethyl)aminomethane, at least an amino acid and an oxidative dye HCT HAIR COSMETIC TECH AG (CH) 2019-07-24 EP disclosed
WO-2013087932-A1 COUPLER WITH 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE STRUCTURE, DYEING COMPOSITION COMPRISING SAME, PROCESSES AND USES L'OREAL (FR) 2013-06-20 WO disclosed
US-20130081213-A1 CATIONIC 6-AMINOINDOLINES, DYEING COMPOSITIONS CONTAINING THEM, PROCESSES AND USES THEREOF L'OREAL (FR) 2013-04-04 US disclosed
WO-2011110627-A1 NEW CATIONIC 7-AMINO-1,2,3,4- TETRAHYDROQUINOLINES, DEYING COMPOSITION COMPRISING A CATIONIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINE, METHOD AND USES. L'OREAL (FR) 2011-09-15 WO disclosed
EP-1438294-B1 DEVELOPER CONSTITUENTS AND THEIR USE FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2007-12-05 EP disclosed
EP-1800655-A1 Use of a combination of oniumaldehydes and imidazolylalkyl-substituted p-phenylenediamine derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 2007-06-27 EP disclosed
EP-1800655-A1 Use of a combination of oniumaldehydes and imidazolylalkyl-substituted p-phenylenediamine derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 2007-06-27 EP disclosed
US-7081140-B2 Developer components and their use for dyeing keratinic fibers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-07-25 US disclosed
US-20040255402-A1 Developer components and their use for dyeing keratinic fibers HENKEL AG & CO. KGAA (DE) 2004-12-23 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 (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-20210128427-A1 TWO COMPONENT HAIR TREATMENT KIT COMPRISING A HAIR COLORING CREAM AND A DEVELOPER COMPOSITION COMPRISING A SPECIFIC TENSIOACTIVE COMPOUND KRT18, KIT, PRKDC SOD1 1880/4885CYP11B1 820/4885CYP11B2 1097/4885
US-20040255402-A1 Developer components and their use for dyeing keratinic fibers KRT18, DSP, DSG1 SOD1 3875/4885CYP11B1 4622/4885CYP11B2 4709/4885
US-11298304-B2 Two component hair treatment kit comprising a hair coloring cream and a developer composition comprising a specific tensioactive compound KRT18, KIT, PRKDC SOD1 1880/4885CYP11B1 820/4885CYP11B2 1097/4885
US-20130081213-A1 CATIONIC 6-AMINOINDOLINES, DYEING COMPOSITIONS CONTAINING THEM, PROCESSES AND USES THEREOF AADAT, TYR, DDC SOD1 2874/4885CYP11B1 485/4885CYP11B2 330/4885

“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.