SCHEMBL6045923

SCHEMBL6045923

O=C(Nc1[nH]nc(C(=O)NCCN2CCOCC2)c1Br)c1ccccc1CSc1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
PSMD14 O00487 1/20 0.45
STAMBP O95630 1/20 0.45
WNT1 P04628 2/20 0.42
DYRK1A Q13627 2/20 0.42
BCL3 P20749 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
APP P05067 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4788812 0.90 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPTPSMD14STAMBP
SCHEMBL4035525 0.82 HDAC6 (0.46) SMN1; SMN2ALDH1A1MAPTPSMD14KDM4E
SCHEMBL6046003 0.78 HTT (0.56) SMN1; SMN2ALDH1A1MAPTBCL3HTT
SCHEMBL14040561 0.74 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPTPSMD14KDM4E
SCHEMBL14084806 0.73 BCL3 (0.52) SMN1; SMN2ALDH1A1BCL3KDM4EHTT
SCHEMBL6045932 0.71 KDM4E (0.39) SMN1; SMN2ALDH1A1MAPTPSMD14KDM4E
SCHEMBL6045828 0.70 BDKRB1 (0.49) SMN1; SMN2WNT1DYRK1AHTT
SCHEMBL6046028 0.70 BDKRB1 (0.48) SMN1; SMN2WNT1DYRK1AHTT
SCHEMBL6046172 0.70 BDKRB1 (0.54) HDAC8HTT
SCHEMBL5819580 0.69 BCL3 (0.50) BCL3

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
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-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 SMN1; SMN2 3662/4885ALDH1A1 2017/4885MAPT 3561/4885

“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.