SCHEMBL5416306

SCHEMBL5416306

C[C@@H]1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1)OCO3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2D6 P10635 2/20 0.71
CYP2C9 P11712 2/20 0.71
NFKB1 P19838 2/20 0.71
CYP2C19 P33261 2/20 0.71
HIF1A Q16665 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
LMNA P02545 2/20 0.71
ALOX15 P16050 1/20 0.71
MAPK1 P28482 1/20 0.71
HSD17B10 Q99714 1/20 0.71
KDM4E B2RXH2 1/20 0.71
BLM P54132 1/20 0.71
PMP22 Q01453 1/20 0.71
TERT O14746 3/20 0.43
GRIA2 P42262 4/20 0.41
GRIA1 P42261 1/20 0.41

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
SCHEMBL5416313 1.00 MAPT (0.71) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4156605 0.86 MEN1 (0.64) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4156608 0.86 MEN1 (0.64) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4169765 0.86 MEN1 (0.64) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5424606 0.85 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5424614 0.85 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8793307 0.84 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7228129 0.84 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5427228 0.84 KMT2A (0.60) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5427234 0.84 KMT2A (0.60) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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-20070027143-A1 Novel substituted 2,3-benzodiazepine derivatives IVAX DRUG RESEARCH INSTITUTE, LTD. (HU) 2007-02-01 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-20070027143-A1 Novel substituted 2,3-benzodiazepine derivatives GABRB2, GABRB3, GABRA2 MAPT 967/4885CYP1A2 55/4885CYP3A4 132/4885

“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.