SCHEMBL5414101

SCHEMBL5414101

Cc1cc(C2=NN(C(=S)Cl)[C@H](C)Cc3cc4c(cc32)OCO4)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.54
GRIA1 P42261 1/20 0.54
TERT O14746 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL5414106 1.00 GRIA2 (0.54) GRIA2GRIA1TERTMEN1KMT2A
SCHEMBL5423517 0.91 GRIA2 (0.56) GRIA2GRIA1TERTMEN1KMT2A
SCHEMBL5423513 0.91 GRIA2 (0.56) GRIA2GRIA1TERTMEN1KMT2A
SCHEMBL4169852 0.89 GRIA1 (0.58) GRIA2GRIA1TERTMEN1KMT2A
SCHEMBL4164890 0.89 GRIA1 (0.58) GRIA2GRIA1TERTMEN1KMT2A
SCHEMBL4164893 0.89 GRIA1 (0.58) GRIA2GRIA1TERTMEN1KMT2A
SCHEMBL5419956 0.89 GRIA1 (0.49) GRIA2GRIA1TERTMEN1KMT2A
SCHEMBL5419947 0.89 GRIA1 (0.49) GRIA2GRIA1TERTMEN1KMT2A
SCHEMBL5419963 0.89 GRIA2 (0.56) GRIA2GRIA1TERTMEN1KMT2A
SCHEMBL5419976 0.89 GRIA2 (0.56) GRIA2GRIA1TERTMEN1KMT2A

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 GRIA2 73/4885GRIA1 134/4885TERT 4751/4885

“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.