SCHEMBL965808

SCHEMBL965808

CCCN(C(=O)NC=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.35
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CA2 P00918 1/20 0.33
CTSB P07858 1/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CA1 P00915 2/20 0.31

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
SCHEMBL968066 0.78 CA12 (0.37) CA12CA9CA2EPHX2TSHR
SCHEMBL23269745 0.74 NAMPT (0.38) NAMPTCA12CA9CA1
SCHEMBL24406166 0.74 NAMPT (0.35) NAMPTCA12CA9CA2CA1
SCHEMBL965807 0.73 NAMPT (0.37) NAMPTCA12CA9CA1
SCHEMBL8059643 0.73 TSHR (0.35) NAMPTCA12CA9CA2EPHX2
Bromide SCHEMBL9052849 0.71 TSHR (0.33) NAMPTCA12CA9CA2EPHX2
SCHEMBL6207217 0.70 MEN1 (0.38) NAMPTCA12CA9CA2EPHX2
SCHEMBL6207215 0.70 CA12 (0.36) NAMPTCA12CA9CA2EPHX2
SCHEMBL497808 0.70 CA12 (0.36) NAMPTCA12CA9CA2EPHX2
SCHEMBL18125071 0.69 CA1 (0.37) NAMPTCA12CA9CA2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7867992-B2 such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses AICURIS GMBH & CO. KG (DE) 2011-01-11 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 EP disclosed
EP-1768973-A1 SUBSTITUTED QUINOLONES AiCuris GmbH & Co. KG (DE) 2007-04-04 EP disclosed
WO-2006008046-A1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO. KG (DE) 2006-01-26 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-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 NAMPT 359/4885CA12 2872/4885CA9 2725/4885

“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.