SCHEMBL16900679

SCHEMBL16900679

CCNC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.70
▸ ALDH1A1 P00352 11/20 0.53
▸ USP2 O75604 7/20 0.53
▸ MEN1 O00255 7/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ CASP1 P29466 5/20 0.53
▸ CASP7 P55210 5/20 0.53
▸ LMNA P02545 5/20 0.53
▸ GAA P10253 4/20 0.53
▸ ALOX15 P16050 4/20 0.53
▸ HSD17B10 Q99714 4/20 0.53
▸ BRCA1 P38398 2/20 0.53
▸ HBB P68871 2/20 0.53
▸ ATM Q13315 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ KDM4E B2RXH2 6/20 0.53

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
SCHEMBL18517777 0.89 SLC16A3 (0.66) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL26307770 0.88 SLC16A3 (0.74) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL2956917 0.87 SLC16A3 (0.67) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL2956918 0.87 SLC16A3 (0.67) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL13238317 0.86 SLC16A3 (0.69) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL13403675 0.85 SLC16A3 (0.74) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL23872036 0.85 SLC16A3 (0.67) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL15179337 0.84 SLC16A3 (0.60) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL23872035 0.84 SLC16A3 (0.60) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL19686992 0.84 SLC16A3 (0.60) SLC16A3ALDH1A1USP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596691-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2023-03-07 — — US disclosed
EP-1842923-B1 Methanesulfonylaminoindole derivatives and labeled oligonucleotide probes containing them ROCHE DIAGNOSTICS GMBH (DE) 2015-07-15 — — EP 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-11596691-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 SLC16A3 2336/4885ALDH1A1 1521/4885USP2 392/4885

“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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