SCHEMBL2952209

SCHEMBL2952209

CN1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1CCl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
WDR5 P61964 2/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.39
AVPR2 P30518 3/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 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
SCHEMBL8268543 1.00 MAPT (0.48) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL2957394 0.93 MAPT (0.48) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL8268545 0.93 MAPT (0.48) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL2954146 0.91 MAPT (0.47) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL2951584 0.84 AVPR2 (0.41) AVPR2OXTRAVPR1A
SCHEMBL2951582 0.83 HSD17B3 (0.42) AVPR2OXTRAVPR1A
SCHEMBL4351692 0.82 MAPT (0.42) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL13239409 0.82 RECQL (0.43) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL2954152 0.81 NPC1 (0.42) MAPTKMT2AMEN1NPC1LMNA
SCHEMBL8267136 0.81 NPC1 (0.42) MAPTKMT2AMEN1NPC1LMNA

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 MAPT 3693/4885KMT2A 4159/4885MEN1 3414/4885

“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.