SCHEMBL283260

SCHEMBL283260

CCc1ccccc1C[NH]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
MGLL Q99685 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CTSB P07858 1/20 0.35
HTT P42858 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 SCHEMBL25289904 0.85 GABRA1 (0.52) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL29390847 0.85 GABRA1 (0.58) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL1696970 0.85 HSPA5 (0.38) CYP2D6HTT
SCHEMBL25425763 0.85 GABRA1 (0.58) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL36294 0.85 GABRA1 (0.58) GABRA1GABRB2MGLLTP53MAPT
Hydrazine SCHEMBL28200130 0.82 GABRA1 (0.50) GABRA1GABRB2MGLLTP53MAPT
Ammonia Solution, Strong SCHEMBL2638008 0.82 GABRA1 (0.55) GABRA1GABRB2MGLLTP53MAPT
Benzene SCHEMBL3122858 0.82 TP53 (0.56) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL25402639 0.82 GABRA1 (0.55) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL14807864 0.82 GABRA1 (0.55) GABRA1GABRB2MGLLTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214552-A1 Substituted Pyridazinecarboxamides and Derivatives Thereof BAYER CROPSCIENCE AG (DE) 2008-09-04 US claimed
EP-1763303-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF Bayer CropScience Aktiengesellschaft (DE) 2007-03-21 EP claimed
WO-2006000333-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-01-05 WO claimed
EP-1192178-A2 RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) ELI LILLY AND COMPANY (US) 2002-04-03 EP claimed
EP-0582829-B1 9-[(substituted glycyl)amido]-6-demethyl-6-deoxytetracyclines as antibiotic agents AMERICAN CYANAMID CO (US) 2001-09-12 EP claimed
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO claimed
WO-2000078795-A2 RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) ELI LILLY AND COMPANY (US) 2000-12-28 WO claimed
EP-0417555-B1 Pentamethine dyes and derivatives BAYER AG (DE) 1993-11-03 EP claimed
US-5118814-A Pressure sensitive and heat sensitive recording media BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US claimed
EP-0417555-A1 Pentamethine dyes and derivatives BAYER AG (DE) 1991-03-20 EP claimed
EP-0370198-A1 Tetraindolyl heptamethine derivatives BAYER AG (DE) 1990-05-30 EP claimed
EP-0131292-A2 Benzotriazole derivatives and their use BASF Aktiengesellschaft (DE) 1985-01-16 EP claimed
US-4268510-A DEMETHANIZATION, METABOLISM, RUMEN IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-19 US claimed
EP-0010348-A1 Heterocyclic trichloromethyl derivatives, process for their preparation and their use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-30 EP claimed
US-4042642-A 1,3-BIS(MORPHOLINOTHIO)-IMIDAZOLIDINONE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-08-16 US claimed
US-3960857-A Urea additives for sulfur vulcanizable polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-06-01 US claimed
CN-111315800-B Triazine ring-containing polymer and composition comprising same 日产化学株式会社 2022-05-31 CN disclosed
CN-107849425-B Solvent-free photocurable adhesive composition 日产化学工业株式会社 2021-09-21 CN disclosed
US-3960857-A Urea additives for sulfur vulcanizable polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-06-01 US disclosed
US-3944552-A VULCANIZATION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-03-16 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-20080214552-A1 Substituted Pyridazinecarboxamides and Derivatives Thereof PFAS, CYP4Z1, CYP4F12 GABRA1 3263/4885GABRB2 3235/4885MGLL 3398/4885

“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.