SCHEMBL29326439

SCHEMBL29326439

Cc1cccc(C#N)c1-c1ccc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 2/20 0.41
GRIA1 P42261 2/20 0.38
CACNG8 Q8WXS5 2/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.37
FASN P49327 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FEN1 P39748 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL27378395 0.90 NPEPPS (0.38) NPEPPSGRIA1CACNG8KDM4EGAA
SCHEMBL29326225 0.90 NPEPPS (0.48) NPEPPSGRIA1CACNG8KDM4EGAA
SCHEMBL29326442 0.88 GRIA1 (0.53) NPEPPSGRIA1CACNG8KDM4EGAA
SCHEMBL29326358 0.88 HSD17B10 (0.45) NPEPPSGRIA1CACNG8KDM4EALDH1A1
SCHEMBL29326335 0.87 NPEPPS (0.43) NPEPPSKDM4EGAAFASNTDP1
SCHEMBL29326440 0.84 NPEPPS (0.43) NPEPPSGRIA1CACNG8KDM4EGAA
SCHEMBL29326420 0.83 HSD17B10 (0.48) NPEPPSGRIA1CACNG8KDM4EALDH1A1
SCHEMBL29326236 0.82 NPEPPS (0.44) NPEPPSKDM4EGAATDP1HTT
SCHEMBL29326233 0.81 FEN1 (0.45) NPEPPSKDM4EGAATDP1HTT
SCHEMBL29326239 0.81 FEN1 (0.44) NPEPPSKDM4EGAATDP1HTT

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NPEPPS 168/4885GRIA1 3704/4885CACNG8 3522/4885

“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.