SCHEMBL4714849

SCHEMBL4714849

O=C(c1ccnc(-c2cccc(-c3nc4c(Cl)cccc4[nH]3)c2)c1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
AKR1C3 P42330 1/20 0.43
BDKRB1 P46663 1/20 0.42
PARP1 P09874 4/20 0.42
SLC6A7 Q99884 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
DHODH Q02127 1/20 0.41
WNK1 Q9H4A3 1/20 0.41
ATR Q13535 1/20 0.41
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL4716061 0.88 AKR1C3 (0.43) CYP2C9TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL4713546 0.82 SLC2A1 (0.44) PARP1
SCHEMBL4714350 0.80 KDM4E (0.55) ALDH1A1PARP1DHODH
SCHEMBL4714133 0.76 GNRHR (0.40) CYP1A2CYP2D6PARP1
SCHEMBL4712510 0.75 FLT3 (0.39) BDKRB1PARP1
SCHEMBL4712505 0.75 SLC2A1 (0.53) PARP1
SCHEMBL5628622 0.75 SLC2A1 (0.51) PARP1DHODH
SCHEMBL4713139 0.74 DRD4 (0.54) CYP1A2CYP2D6PARP1
SCHEMBL31413193 0.72 PARP1 (0.64) PARP1SLC6A7DHODH
SCHEMBL4714758 0.72 PARP1 (0.49) PARP1DHODH

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 6 patents. 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 claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO 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 CYP2C9 3256/4885TSHR 1458/4885ALDH1A1 3073/4885

“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.