SCHEMBL2991729

SCHEMBL2991729

COc1ccc(C2CC(C(N)=O)=NN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.54
CNR2 P34972 5/20 0.54
EGFR P00533 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDR P35968 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
GLA P06280 2/20 0.45
POLB P06746 1/20 0.45
BRAF P15056 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
PDE5A O76074 1/20 0.43

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 SCHEMBL4050641 0.99 CNR1 (0.53) CNR1CNR2EGFRMEN1KMT2A
SCHEMBL2019937 0.90 CNR1 (0.55) CNR1CNR2EGFRMEN1KMT2A
SCHEMBL2024421 0.90 CNR1 (0.55) CNR1CNR2EGFRMEN1KMT2A
SCHEMBL2991907 0.90 CNR1 (0.64) CNR1CNR2EGFRALDH1A1PDE5A
SCHEMBL2018083 0.89 CNR1 (0.56) CNR1CNR2EGFRMEN1KMT2A
Hydrochloric Acid SCHEMBL2024424 0.89 CNR1 (0.54) CNR1CNR2EGFRMEN1KMT2A
SCHEMBL4607305 0.89 CNR1 (0.54) CNR1CNR2EGFRMEN1KMT2A
Hydrochloric Acid SCHEMBL2996363 0.89 CNR1 (0.62) CNR1CNR2EGFRALDH1A1PDE5A
SCHEMBL3001029 0.89 CNR1 (0.52) CNR1CNR2EGFRMEN1KMT2A
SCHEMBL14396605 0.87 CNR1 (0.58) CNR1CNR2EGFRMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079701-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-22 EP claimed
WO-2008062424-A2 SUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO claimed
WO-2008043544-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-04-17 WO claimed
US-20100184772-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-07-22 US disclosed
WO-2008062424-A2 SUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO disclosed
EP-1743888-A1 Carbonyl substituted pyrazoline compounds, their preparation and use as CB1 receptor modulators LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP 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-20100184772-A1 SULFONAMIDE SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 MODULATORS CNR2, CNR1, FAAH CNR1 2/4885CNR2 1/4885EGFR 1772/4885

“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.