SCHEMBL2961350

SCHEMBL2961350

O=c1[nH]c2ccccc2c(=O)nc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.47
ALDH1A1 P00352 7/20 0.47
MAPT P10636 3/20 0.47
IDE P14735 1/20 0.47
MPI P34949 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
PARP1 P09874 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TNKS O95271 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
GPR3 P46089 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
PARP15 Q460N3 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44

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
SCHEMBL11214071 0.79 PDE10A (0.44) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL6818663 0.74 PARP1 (0.52) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL4820228 0.73 KDM4E (0.56) KDM4EALDH1A1MAPTIDEMPI
Benzoylenurea SCHEMBL4559940 0.73 ALDH1A1 (0.50) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL6887071 0.72 ALDH1A1 (0.52) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL30014118 0.71 NPC1 (0.52) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL577953 0.71 NPC1 (0.52) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL30561826 0.70 ALDH1A1 (0.49) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL3253183 0.69 ALDH1A1 (0.48) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL103993 0.69 ALDH1A1 (0.53) KDM4EALDH1A1MAPTPARP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763605-B2 [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-27 US disclosed
EP-1809296-A4 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-03-11 EP disclosed
EP-1809296-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-25 EP disclosed
US-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-01 US disclosed
WO-2006049984-A2 NOVEL [1,4]BENZODIAZEPINES AS VASOPRESSIN V2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 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-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists AVPR2, AVPR1B, AVPR1A KDM4E 4029/4885ALDH1A1 1829/4885MAPT 3693/4885

“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.