SCHEMBL6773511

SCHEMBL6773511

CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 4/20 0.48
ERN1 O75460 1/20 0.47
LMNA P02545 3/20 0.46
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
HCRTR1 O43613 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5281106 0.83 MAPT (0.62) CRHBPCRHR2CYP1A2CYP2C9CYP2D6
SCHEMBL3423087 0.82 CRHBP (0.57) CRHBPCRHR2CYP1A2CYP2C9CYP2D6
SCHEMBL27378134 0.82 CRHBP (0.51) CRHBPCRHR2CYP1A2CYP2C9CYP2D6
SCHEMBL1131015 0.81 CRHBP (0.58) CRHBPCRHR2CYP1A2CYP2C9CYP2D6
SCHEMBL27559500 0.80 CRHBP (0.55) CRHBPCRHR2CYP1A2CYP2C9CYP2D6
SCHEMBL11107017 0.80 ALDH1A1 (0.68) CRHBPCRHR2CYP1A2CYP2C9CYP2D6
SCHEMBL38661270 0.80 ALDH1A1 (0.46) CRHBPCRHR2MAPTERN1LMNA
SCHEMBL38660884 0.80 ALDH1A1 (0.44) MAPTERN1LMNAALDH1A1POLB
SCHEMBL28886073 0.79 ERN1 (0.57) MAPTERN1LMNAALDH1A1POLB
SCHEMBL27545137 0.79 CRHBP (0.53) CRHBPCRHR2CYP1A2CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703387-B2 STYRYLBENZODIAZEPINES HOFFMANN-LA ROCHE INC. 2004-03-09 US disclosed
EP-1299364-A1 BENZODIAZEPINES AS INHIBITORS OF HPV E1 HELICASE F. HOFFMANN-LA ROCHE AG (CH) 2003-04-09 EP disclosed
US-20020128262-A1 Inhibitors of HPV E1 helicase enzyme F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2002-09-12 US disclosed
WO-2002000632-A1 BENZODIAZEPINES AS INHIBITORS OF HPV E1 HELICASE F. HOFFMANN-LA ROCHE AG (CH) 2002-01-03 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-20020128262-A1 Inhibitors of HPV E1 helicase enzyme DHX15, DHX35, DHX36 CRHBP 1724/4885CRHR2 2668/4885CYP1A2 445/4885

“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.