SCHEMBL434493

SCHEMBL434493

CCc1c(N)cccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.48
TSHR P16473 4/20 0.48
PIK3CA P42336 1/20 0.48
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CD44 P16070 1/20 0.42
PARP1 P09874 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GABRA1 P14867 2/20 0.36

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
Sulfuric Acid SCHEMBL6417779 0.86 TTR (0.42) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL6344760 0.85 CD44 (0.52) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL165995 0.85 GABRA1 (0.46) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL30417664 0.85 CD44 (0.52) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL8370064 0.83 TAAR1 (0.41) CYP3A4TSHRPIK3CAALDH1A1TDP1
Hydrochloric Acid SCHEMBL8136588 0.83 GABRA1 (0.44) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL6204770 0.83 GABRA1 (0.39) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL21812012 0.83 CYP3A4 (0.39) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL10523949 0.83 CYP3A4 (0.39) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL2213750 0.83 GABRA1 (0.44) CYP3A4TSHRPIK3CAALDH1A1TDP1

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 130 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-12570864-B2 Storage-stable pigmented formulations containing isocyanate groups and use thereof COVESTRO DEUTSCHLAND AG (DE) 2026-03-10 US disclosed
EP-3931234-B1 STORAGE STABLE PIGMENTED ISOCYANATE GROUP-CONTAINING FORMULATIONS COMPRISING ISOCYANATE GROUP-CONTAINING RUBBING RESIN AND THEIR USE COVESTRO DEUTSCHLAND AG (DE) 2025-10-15 EP disclosed
EP-3601405-B1 GENERATION OF POLYISOCYANURATE LAYERS THROUGH SEPARATE APPLICATION OF ISOCYANATE COMPONENTS AND CATALYSTS COVESTRO DEUTSCHLAND AG (DE) 2024-08-28 EP disclosed
US-11965054-B2 Storage-stable pigmented isocyanate group-containing formulations with isocyanate group-containing grinding resin and use thereof COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2024-04-23 US disclosed
WO-2024052724-A1 COATING KIT AND METHOD FOR REPAIR AND/OR RECONSTITUTION OF RUBBER AND/OR METAL WORN AREAS BERTECH PANAMÁ S.A. (PA) 2024-03-14 WO disclosed
CN-113518791-B Storage-stable pigment-containing isocyanate-group-containing formulations having an isocyanate-group-containing grinding resin and use thereof 科思创知识产权两合公司 2023-08-08 CN disclosed
CN-112020528-B Storage-stable, pigmented, isocyanate group-containing formulations and use thereof 科思创知识产权两合公司 2022-08-30 CN disclosed
US-20220106427-A1 STORAGE-STABLE PIGMENTED ISOCYANATE GROUP-CONTAINING FORMULATIONS WITH ISOCYANATE GROUP-CONTAINING GRINDING RESIN AND USE THEREOF COVESTRO DEUTSCHLAND AG (DE) 2022-04-07 US disclosed
CN-110446737-B Formation of coatings by separate application of polyisocyanate composition and crosslinking catalyst 科思创德国股份有限公司 2022-04-01 CN disclosed
EP-0172612-A1 Preparation of (hydrocarbylthio)aromatic amines ETHYL CORPORATION (US) 1986-02-26 EP disclosed
EP-0082258-B1 SUBSTITUTED M-PHENYLENEDIAMINES THE DOW CHEMICAL COMPANY (US) 1986-02-19 EP disclosed
EP-0169101-A1 Process for preparing (hydrocarbylthio)cyclic amines ETHYL CORPORATION (US) 1986-01-22 EP disclosed
EP-0109624-A2 Process for producing shaped articles made from polyurethane-polyurea which may be cellular BASF Aktiengesellschaft (DE) 1984-05-30 EP disclosed
EP-0018939-B1 1:2 METAL COMPLEX DYESTUFFS OF AZOMETHINES, PROCESS FOR THEIR PREPARATION AND PROCESS FOR DYEING AND PRINTING BY USING THESE DYESTUFFS CIBA-GEIGY AG (CH) 1983-10-05 EP disclosed
EP-0082258-A1 Substituted m-phenylenediamines THE DOW CHEMICAL COMPANY (US) 1983-06-29 EP disclosed
EP-0007631-B1 WHOLLY AROMATIC POLYAMIDE COMPOSITION AND FILAMENTS OR FIBRES THEREOF TEIJIN LIMITED (JP) 1983-03-02 EP disclosed
US-4245066-A HEAT RESISTANT FIBERS TEIJIN LIMITED (JP) 1981-01-13 US disclosed
EP-0007631-A1 Wholly aromatic polyamide composition and filaments or fibres thereof TEIJIN LIMITED (JP) 1980-02-06 EP disclosed
US-3933737-A SULFUR-CONTAINING ORGANOTIN COMPOUNDS AND NON-SULFUR-CONTAINING ORGANOTIN COMPOUNDS KABEL-UND METALLWERKE GUTEHOFFNUNGSHUTTE AKTIENGESELLSCHAFT (DT) 1976-01-20 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 (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-12570864-B2 Storage-stable pigmented formulations containing isocyanate groups and use thereof RB1, ALDH1A2, IDH3A CYP3A4 3320/4885TSHR 4771/4885PIK3CA 3545/4885

“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.