SCHEMBL5599416

SCHEMBL5599416

CCOC(=O)c1cc(CNCc2ccccc2)[nH]n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
KMT2A Q03164 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 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
SCHEMBL12703567 0.84 HCAR2 (0.67) SMN1; SMN2POLBTP53THRBKMT2A
SCHEMBL1150081 0.83 POLB (0.53) SMN1; SMN2POLBTP53THRBKMT2A
SCHEMBL5599799 0.83 HCAR2 (0.68) HCAR2
SCHEMBL4648929 0.82 SMN1; SMN2 (0.58) SMN1; SMN2POLBTP53THRBKMT2A
SCHEMBL15932197 0.81 POLB (0.51) SMN1; SMN2POLBTP53THRBKMT2A
SCHEMBL1149637 0.77 POLB (0.52) SMN1; SMN2POLBTP53THRBKMT2A
SCHEMBL22435405 0.76 HCAR2 (0.56) POLBTP53THRBKMT2AHCAR2
SCHEMBL21810968 0.76 KMT2A (0.48) POLBTP53THRBKMT2AHCAR2
SCHEMBL1233899 0.76 HCAR2 (0.64) POLBTP53THRBKMT2AHCAR2
SCHEMBL7705757 0.75 HCAR2 (0.59) POLBTP53THRBKMT2AHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032537-A1 5-Substituted 2h-pyrazole-3-carboxylic acid derivatives as agonists for the acid receptor rup25 for the treatment of dyslipidemia and related diseases ARENA PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-20070032537-A1 5-Substituted 2h-pyrazole-3-carboxylic acid derivatives as agonists for the acid receptor rup25 for the treatment of dyslipidemia and related diseases ARENA PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-20070032537-A1 5-Substituted 2h-pyrazole-3-carboxylic acid derivatives as agonists for the acid receptor rup25 for the treatment of dyslipidemia and related diseases ARENA PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
EP-1633351-A1 5-SUBSTITUTED 2H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE NICOTINIC ACID RECEPTOR RUP25 FOR THE TREATMENT OF DYSLIPIDEMIA AND RELATED DISEASES Arena Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
WO-2005011677-A1 5-SUBSTITUTED 2H-PYRAZOLE-3-CARBOXYLIC ACID DERIVATIVES AS AGONISTS FOR THE NICOTINIC ACID RECEPTOR RUP25 FOR THE TREATMENT OF DYSLIPIDEMIA AND RELATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-02-10 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 (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-20070032537-A1 5-Substituted 2h-pyrazole-3-carboxylic acid derivatives as agonists for the acid receptor rup25 for the treatment of dyslipidemia and related diseases ACE, AGTR2, ACE2 SMN1; SMN2 4476/4885POLB 4054/4885TP53 4707/4885

“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.