SCHEMBL396816

SCHEMBL396816

CCc1ccc(N)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.50
MAPT P10636 6/20 0.45
ALDH1A1 P00352 6/20 0.45
GAA P10253 5/20 0.45
KDM4E B2RXH2 4/20 0.45
POLB P06746 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
USP2 O75604 2/20 0.45
TP53 P04637 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
PRKCI P41743 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
ACHE P22303 1/20 0.41
GFER P55789 1/20 0.39
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5491963 1.00 CASP1 (0.50) CASP1MAPTALDH1A1GAAKDM4E
SCHEMBL29414153 1.00 CASP1 (0.50) CASP1MAPTALDH1A1GAAKDM4E
SCHEMBL395438 0.84 PRKCI (0.47) CASP1MAPTALDH1A1GAAKDM4E
SCHEMBL29738343 0.84 PRKCI (0.47) CASP1MAPTALDH1A1GAAKDM4E
SCHEMBL398586 0.83 GAA (0.46) CASP1MAPTALDH1A1GAAKDM4E
SCHEMBL94119 0.82 ALDH1A1 (0.50) CASP1MAPTALDH1A1GAAKDM4E
SCHEMBL27770925 0.82 CASP1 (0.42) CASP1MAPTALDH1A1GAAKDM4E
SCHEMBL30227490 0.82 ALDH1A1 (0.50) CASP1MAPTALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL8667386 0.81 GAA (0.48) CASP1MAPTALDH1A1GAAKDM4E
SCHEMBL10890416 0.81 CASP1 (0.46) CASP1MAPTALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115726051-B Stock solution coloring regenerated colored flame-retardant polyester flat filament yarn and preparation method thereof 桐乡市励志特种纤维股份有限公司 2023-12-05 CN claimed
US-11786860-B2 Solvent composition for CO2 capture and a process mediated thereof INDIAN OIL CORPORATION LIMITED (IN) 2023-10-17 US claimed
CN-115726051-A Stock solution coloring regeneration colored flame-retardant polyester flat filament and preparation method thereof 桐乡市励志特种纤维股份有限公司 2023-03-03 CN claimed
US-11471821-B2 Process for biogas upgradation INDIAN OIL CORPORATION LIMITED (IN) 2022-10-18 US claimed
US-20220072472-A1 SOLVENT COMPOSITION FOR CO2 CAPTURE AND A PROCESS MEDIATED THEREOF INDIAN OIL CORPORATION LIMITED (IN) 2022-03-10 US claimed
EP-3964279-A1 SOLVENT COMPOSITION FOR CO2 CAPTURE AND A PROCESS MEDIATED THEREOF Indian Oil Corporation Limited (IN) 2022-03-09 EP claimed
EP-0366316-B1 Melt-processible aromatic polyamides DU PONT (US) 1994-12-07 EP claimed
EP-0366316-A1 Melt-processible aromatic polyamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-02 EP claimed
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
US-20250333609-A1 HYDROPHILIC COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-10-30 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
WO-2025079317-A1 HYDROPHILIC COMPOSITION 信越化学工業株式会社 2025-04-17 WO disclosed
EP-4534598-A1 HYDROPHILIC COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-04-09 EP 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
US-4066389-A SULFOPHENYLAMINO CONTAINING TETRAREACTIVE TRIAZINE DISAZO DYESTUFFS AND DYESTUFF COMPOSITIONS THEREOF CIBA-GEIGY CORPORATION (US) 1978-01-03 US disclosed
US-3966705-A Disulfo naphthalene containing fiber-reactive tetrazo dyes CIBA-GEIGY CORPORATION (US) 1976-06-29 US 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 CASP1 3820/4885MAPT 1036/4885ALDH1A1 433/4885

“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.