SCHEMBL31714739

SCHEMBL31714739

COC(=O)c1c(N)nn2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ KDM4E B2RXH2 6/20 0.40
▸ HPGD P15428 6/20 0.40
▸ GAA P10253 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34

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
SCHEMBL23414986 0.82 ALDH1A1 (0.48) ALDH1A1MAPK1KDM4EHPGDGAA
SCHEMBL29852457 0.81 ALDH1A1 (0.44) ALDH1A1MAPK1KDM4EHPGDGAA
SCHEMBL31053388 0.78 ALDH1A1 (0.42) ALDH1A1MAPK1KDM4EHPGDGAA
SCHEMBL2435352 0.77 ALDH1A1 (0.41) ALDH1A1MAPK1KDM4EHPGDGAA
SCHEMBL30323375 0.77 MAPK1 (0.49) ALDH1A1MAPK1KDM4EHPGDGAA
SCHEMBL31158416 0.74 MAPK1 (0.42) ALDH1A1MAPK1KDM4EHPGDGAA
SCHEMBL21081513 0.74 MAPK1 (0.46) ALDH1A1MAPK1HPGDGAAHSD17B10
SCHEMBL31066451 0.73 ALDH1A1 (0.39) ALDH1A1MAPK1KDM4EHPGDHSD17B10
SCHEMBL23961101 0.70 ALDH1A1 (0.41) ALDH1A1MAPK1KDM4EHPGDGAA
SCHEMBL2436166 0.69 ALDH1A1 (0.33) ALDH1A1MAPK1GAAHSD17B10KMT2A

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-20250333424-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2025-10-30 — — 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-20250333424-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 ALDH1A1 3515/4885MAPK1 4120/4885KDM4E 2765/4885

“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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