Sugi Predict

Sugi Predict / Compounds / SCHEMBL6045900

SCHEMBL6045900

SCHEMBL6045900

O=C(Nc1[nH]nc(C(=O)N[C@@H]2CCCCN(CCc3ccccc3)C2=O)c1Br)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 8/20 0.46
▸ SRC P12931 2/20 0.44
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ ACE P12821 2/20 0.39
▸ MME P08473 1/20 0.39
▸ TPSAB1 Q15661 3/20 0.39
▸ TPSD1 Q9BZJ3 3/20 0.39
▸ TPSG1 Q9NRR2 3/20 0.39
▸ RAMP1 O60894 2/20 0.39
▸ CALCRL Q16602 2/20 0.39
▸ PLG P00747 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37

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
SCHEMBL14084892 0.93 BDKRB1 (0.47) BDKRB1SRCHDAC1HDAC8HDAC6
SCHEMBL6046004 0.91 BDKRB1 (0.47) BDKRB1SRCTPSAB1TPSD1TPSG1
SCHEMBL14084917 0.91 BDKRB1 (0.47) BDKRB1SRCTPSAB1TPSD1TPSG1
SCHEMBL4705761 0.89 BDKRB1 (0.42) BDKRB1SRCHDAC1HDAC8HDAC6
SCHEMBL14084893 0.89 BDKRB1 (0.48) BDKRB1TPSAB1TPSD1TPSG1RAMP1
SCHEMBL14084931 0.88 BDKRB1 (0.45) BDKRB1SRCTPSAB1TPSD1TPSG1
SCHEMBL6045979 0.88 BDKRB1 (0.45) BDKRB1SRCTPSAB1TPSD1TPSG1
SCHEMBL14084921 0.88 BDKRB1 (0.47) BDKRB1TPSAB1TPSD1TPSG1RAMP1
SCHEMBL14084872 0.86 BDKRB1 (0.50) BDKRB1CCNA2CDK2CCNA1
SCHEMBL14084871 0.86 BDKRB1 (0.50) BDKRB1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 — — US claimed
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-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 — — 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-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 BDKRB1 1/4885SRC 2569/4885HDAC1 818/4885

“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.