SCHEMBL398586

SCHEMBL398586

CCCc1ccc(N)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
MAPT P10636 3/20 0.46
CASP1 P29466 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
PRKCI P41743 1/20 0.38
ACHE P22303 1/20 0.37
CFTR P13569 1/20 0.35
SKP2 Q13309 1/20 0.34
TDP1 Q9NUW8 2/20 0.34

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 SCHEMBL8667386 0.98 GAA (0.48) GAAMAPTCASP1HTTALDH1A1
SCHEMBL10492538 0.87 TYR (0.46) GAAMAPTCASP1HTTALDH1A1
SCHEMBL10890416 0.85 CASP1 (0.46) GAAMAPTCASP1HTTALDH1A1
SCHEMBL9819079 0.85 TYR (0.46) GAAMAPTCASP1HTTALDH1A1
Hydrochloric Acid SCHEMBL11214753 0.85 MAPT (0.46) GAAMAPTCASP1HTTALDH1A1
SCHEMBL4576433 0.84 PRKCI (0.44) GAAMAPTCASP1HTTALDH1A1
SCHEMBL7568808 0.84 MAPT (0.49) GAAMAPTCASP1HTTALDH1A1
SCHEMBL10635917 0.84 MAPT (0.49) GAAMAPTCASP1HTTALDH1A1
SCHEMBL9025493 0.84 MAPT (0.49) GAAMAPTCASP1HTTALDH1A1
SCHEMBL10496381 0.84 MAPT (0.49) GAAMAPTCASP1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4760185-A Process for the ortho-alkylation of optionally alkyl-substituted m-phenylenediamines BAYER AKTIENGESELLSCHAFT (DE) 1988-07-26 US claimed
US-4324553-A OXIDATION COLOR DYES L'OREAL (FR) 1982-04-13 US claimed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
CN-110476243-A The manufacturing method of electronic circuit protection materials, electronic circuit protection materials sealing material, encapsulating method and semiconductor device HITACHI CHEMICAL CO LTD 2019-11-19 CN disclosed
US-10413499-B2 Oxidative hair treatment with post-treatment for improving fastness to washing HENKEL AG & CO. KGAA (DE) 2019-09-17 US disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
US-4225492-A Water-soluble disazo dyestuffs, prepared from unsymmetrical heterocyclic diamines CASSELLA AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4195151-A PRODUCTION OF POLYURETHANE ELASTOMERS UNION CARBIDE CORPORATION (US) 1980-03-25 US disclosed
EP-0008307-A1 Polyurethane foams prepared from condensation products of amines, epihalohydrins and alkylene oxides BASF WYANDOTTE CORPORATION (US) 1980-03-05 EP disclosed
US-4144231-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-4144230-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-4143033-A WATER-SOLUBLE DISAZO DYESTUFFS CONTAINING A 2-PHENYL-BENZIMIDAZOLYL,-BENZOXAZOLYL OR-BENZTHIAZOLYL MIDDLE COMPONENT CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-06 US disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4133780-A Polyurethane foams prepared from condensation products of amines, epihalohydrins and alkylene oxides BASF WYANDOTTE CORPORATION (US) 1979-01-09 US disclosed
US-4107106-A Phenol-aldehyde-amine resin/glycol curatives for energy absorbing polyurethanes UNION CARBIDE CORPORATION (US) 1978-08-15 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GAA 454/4885MAPT 4269/4885CASP1 4480/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GAA 454/4885MAPT 4269/4885CASP1 4480/4885

“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.