SCHEMBL4702671

SCHEMBL4702671

[NH]CCN1CCCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
USP2 O75604 1/20 0.61
CDK4 P11802 1/20 0.61
ALOX15 P16050 1/20 0.61
CCND1 P24385 1/20 0.61
CHRM2 P08172 11/20 0.57
CHRM4 P08173 11/20 0.57
CHRM1 P11229 11/20 0.57
CHRM3 P20309 11/20 0.57
GAA P10253 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
PTK2B Q14289 1/20 0.50
ESR2 Q92731 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL7951597 0.89 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL20148244 0.84 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL11183187 0.82 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1450283 0.82 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL30945840 0.82 ALDH1A1 (0.97) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL25365620 0.82 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29555396 0.82 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL11784633 0.82 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL30528627 0.82 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL4700805 0.82 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 ALDH1A1 3054/4885MEN1 1010/4885KMT2A 3940/4885

“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.