SCHEMBL2962930

SCHEMBL2962930

C[CH]NC(CC)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1678821 0.81
SCHEMBL14115915 0.78 ADH1B (0.42) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL5932192 0.73 LMNA (0.38) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL3376456 0.72
SCHEMBL172387 0.70
SCHEMBL2973919 0.70
SCHEMBL6722033 0.70
SCHEMBL172424 0.70
SCHEMBL10291757 0.70
SCHEMBL19068174 0.69 SLC6A4 (0.38) LMNACNR1ADRA1ATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767624-B2 3-Heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
EP-1527052-B1 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES BASF AG (DE) 2006-05-31 EP disclosed
US-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2005-10-27 US disclosed
EP-1527052-A1 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-05-04 EP disclosed
US-20050085516-A1 2-W-diaminocarboxylic acid compounds BASF AKTIENGESELLSCHAFT (DE) 2005-04-21 US disclosed
EP-1451148-A2 2,W-DIAMINOCARBOXYLIC ACID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-01 EP disclosed
EP-0944623-B1 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AG (DE) 2004-09-01 EP disclosed
WO-2004009561-A1 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-01-29 WO disclosed
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 US disclosed
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 US disclosed
EP-0998472-A1 SUBSTITUTED 2-(BENZOARYL)PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
CN-1244865-A Substituted pyrazole-3-yl benzazoles BASF AK (DE) 2000-02-16 CN disclosed
WO-1999055702-A1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-11-04 WO disclosed
EP-0944623-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
WO-1999031091-A1 HERBICIDES 3-(BENZAZOL-4-YL)PYRIMIDINE-DIONE-DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-06-24 WO disclosed
EP-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
WO-1999006394-A1 SUBSTITUTED 2-(BENZOARYL)PYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
WO-1998027090-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 WO 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-20050085516-A1 2-W-diaminocarboxylic acid compounds DDT, ANTXR2, MTX2 LMNA 1908/4885CNR1 562/4885ADRA1A 319/4885
US-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives DDT, CBR3, BROX LMNA 3577/4885CNR1 78/4885ADRA1A 2626/4885
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 LMNA 4129/4885CNR1 66/4885ADRA1A 235/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 LMNA 4264/4885CNR1 171/4885ADRA1A 374/4885

“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.