SCHEMBL2951982

SCHEMBL2951982

CC(C)(C)OC(=O)N1Cc2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
AVPR2 P30518 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35

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
SCHEMBL8267303 1.00 MAPT (0.42) MAPTMEN1KMT2ALMNANPC1
SCHEMBL14130362 0.89 MAPT (0.43) MAPTMEN1KMT2ALMNANPC1
SCHEMBL4351692 0.87 MAPT (0.42) MAPTMEN1KMT2ALMNANPC1
SCHEMBL8268545 0.84 MAPT (0.48) MAPTMEN1KMT2ALMNANPC1
SCHEMBL2957394 0.84 MAPT (0.48) MAPTMEN1KMT2ALMNANPC1
SCHEMBL13239409 0.81 RECQL (0.43) MAPTMEN1KMT2ALMNANPC1
SCHEMBL8267136 0.80 NPC1 (0.42) MAPTMEN1KMT2ALMNANPC1
SCHEMBL2954152 0.80 NPC1 (0.42) MAPTMEN1KMT2ALMNANPC1
SCHEMBL10322910 0.79 AVPR2 (0.60) AVPR2
SCHEMBL10322909 0.79 AVPR2 (0.60) AVPR2

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 2 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
US-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-01 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-20060116367-A1 Novel [1,4]benzodiazepines as vasopressin V2 receptor antagonists AVPR2, AVPR1B, AVPR1A MAPT 3693/4885MEN1 3414/4885KMT2A 4159/4885

“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.