SCHEMBL4033968

SCHEMBL4033968

NC(=O)c1ccc(N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
AKR1C3 P42330 1/20 0.54
CHRNA7 P36544 1/20 0.53
CHRNA10 Q9GZZ6 1/20 0.53
CHRNA9 Q9UGM1 1/20 0.53
CHKA P35790 1/20 0.52
F2 P00734 2/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
TMPRSS6 Q8IU80 2/20 0.52
ST14 Q9Y5Y6 2/20 0.52
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
ACVR1 Q04771 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL6700832 0.85 POLB (0.60) CHEK1SMN1; SMN2AKR1C3ALDH1A1CYP3A4
SCHEMBL7947516 0.84 KDM4E (0.59) CHEK1SMN1; SMN2AKR1C3CHKAALDH1A1
SCHEMBL7956272 0.82 NPC1 (0.69) SMN1; SMN2AKR1C3CHKAALDH1A1CYP3A4
SCHEMBL3883363 0.81 MAPT (0.61) CHEK1SMN1; SMN2CHRNA7CHRNA10CHRNA9
SCHEMBL1397464 0.80 CHEK1 (0.69) CHEK1SMN1; SMN2CHRNA7CHRNA10CHRNA9
SCHEMBL5002823 0.80 CHEK1 (0.67) CHEK1CHRNA7CHRNA10CHRNA9ACVR1
SCHEMBL4873981 0.79 NPC1 (0.61) CHEK1SMN1; SMN2CHRNA7CHRNA10CHRNA9
SCHEMBL4767629 0.79 NPC1 (0.61) CHEK1SMN1; SMN2CHRNA7CHRNA10CHRNA9
SCHEMBL1397421 0.79 NPC1 (0.61) CHEK1SMN1; SMN2CHRNA7CHRNA10CHRNA9
SCHEMBL7961639 0.79 SMN1; SMN2 (0.70) SMN1; SMN2AKR1C3ALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP claimed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US claimed
EP-1635821-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP claimed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US claimed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
EP-1635821-B1 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2009-07-08 EP disclosed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US disclosed
EP-1635821-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US disclosed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-4788196-A Phenyl piperazine anti-arrhythmia agents PFIZER INC. (US) 1988-11-29 US disclosed
EP-0244115-A2 Phenyl-piperazine anti-arrhythmia agents Pfizer Limited (GB) 1987-11-04 EP disclosed
CN-87102873-A Phenylpiperazine anti-dysrhythmia agents and preparation method thereof 1987-10-28 CN 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 (2 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-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, LTB4R CHEK1 1149/4885SMN1; SMN2 3517/4885AKR1C3 221/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 CHEK1 794/4885SMN1; SMN2 3416/4885AKR1C3 241/4885

“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.