SCHEMBL2615311

SCHEMBL2615311

Cc1ccc(C2=NCC(=O)N(C)c3ccc([N+](=O)[O-])cc32)c(F)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 10/20 0.77
▸ GABRA5 P31644 10/20 0.77
▸ GABRA3 P34903 9/20 0.77
▸ GABRA2 P47869 9/20 0.77
▸ GABRG2 P18507 8/20 0.77
▸ GABRB3 P28472 8/20 0.77
▸ GABRB2 P47870 7/20 0.77
▸ OPRK1 P41145 2/20 0.77
▸ CCKBR P32239 1/20 0.77
▸ MC3R P41968 1/20 0.77
▸ GHSR Q92847 1/20 0.77
▸ LMNA P02545 2/20 0.65
▸ CASP1 P29466 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CASP4 P49662 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CASP9 P55211 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ TSPO P30536 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
Flunitrazepam SCHEMBL8812488 0.87 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRG2
Flunitrazepam SCHEMBL29372584 0.87 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRG2
Flunitrazepam SCHEMBL29902314 0.87 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRG2
Flunitrazepam SCHEMBL44169 0.87 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRG2
Flunitrazepam SCHEMBL16922172 0.87 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRG2
Flunitrazepam SCHEMBL6703617 0.82 GABRA1 (0.90) GABRA1GABRA5GABRA3GABRA2GABRG2
Flunitrazepam SCHEMBL27607836 0.82 GABRA1 (0.90) GABRA1GABRA5GABRA3GABRA2GABRG2
Flunitrazepam SCHEMBL11140334 0.80 GABRA1 (0.85) GABRA1GABRA5GABRA3GABRA2GABRG2
Nimetazepam SCHEMBL29374297 0.79 LMNA (1.00) GABRA1GABRA5GABRA3GABRA2GABRG2
Nimetazepam SCHEMBL79886 0.79 LMNA (1.00) GABRA1GABRA5GABRA3GABRA2GABRG2

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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 — — 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS GABRA1 1880/4885GABRA5 2062/4885GABRA3 1497/4885

“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.

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