SCHEMBL5628534

SCHEMBL5628534

N=C(NO)c1cccc(-c2nc3c(Cl)cccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 6/20 0.46
▸ GAA P10253 6/20 0.46
▸ SI P14410 6/20 0.46
▸ MGAM2 Q2M2H8 6/20 0.46
▸ PARP1 P09874 6/20 0.44
▸ ADORA1 P30542 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ PSMB8 P28062 1/20 0.39
▸ DHODH Q02127 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38

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
SCHEMBL4716197 0.89 PARP1 (0.46) MGAMGAASIMGAM2PARP1
SCHEMBL4714942 0.80 PARP1 (0.52) MGAMGAASIMGAM2PARP1
SCHEMBL14587792 0.78 PARP1 (0.50) MGAMGAASIMGAM2PARP1
SCHEMBL14587799 0.78 PARP1 (0.50) MGAMGAASIMGAM2PARP1
SCHEMBL27961298 0.75 ADORA1 (0.57) MGAMGAASIMGAM2PARP1
SCHEMBL4715207 0.74 GAA (0.54) MGAMGAASIMGAM2PARP1
SCHEMBL14587779 0.74 MGAM (0.50) MGAMGAASIMGAM2PARP1
SCHEMBL4715338 0.73 IDO1 (0.54) MGAMGAASIMGAM2PARP1
SCHEMBL4714350 0.73 KDM4E (0.55) MGAMGAASIMGAM2PARP1
SCHEMBL1170768 0.72 ADORA1 (0.61) MGAMGAASIMGAM2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 — — 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 MGAM 4641/4885GAA 3511/4885SI 3857/4885

“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.

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