SCHEMBL5613630

SCHEMBL5613630

O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1N(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CBLB Q13191 4/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CCKAR P32238 1/20 0.42
▸ CCKBR P32239 1/20 0.42

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
SCHEMBL5613635 1.00 MAPK1 (0.44) MAPK1NPC1ALDH1A1MEN1KMT2A
SCHEMBL3826859 0.82 CCKBR (0.63) CBLBCCKARCCKBR
SCHEMBL3826856 0.82 CCKBR (0.63) CBLBCCKARCCKBR
SCHEMBL3826645 0.73 CCKBR (0.65) CCKARCCKBR
SCHEMBL3822950 0.73 CCKBR (0.65) CCKARCCKBR
SCHEMBL3821957 0.72 CCKBR (0.63) CCKARCCKBR
SCHEMBL3821959 0.72 CCKBR (0.63) CCKARCCKBR
SCHEMBL3968844 0.67 CBLB (0.65) CBLBCCKARCCKBR
SCHEMBL30005696 0.67 MAPT (0.76) MAPK1NPC1ALDH1A1MEN1KMT2A
SCHEMBL34841 0.67 MAPT (0.76) MAPK1NPC1ALDH1A1MEN1KMT2A

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-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-08-09 — — 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-20070185096-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 MAPK1 4152/4885NPC1 345/4885ALDH1A1 3840/4885

“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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