SCHEMBL21711528

SCHEMBL21711528

NC(=O)c1cnc2c(c1)OC=CN=C2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NNMT P40261 7/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PSMD14 O00487 1/20 0.33
STAMBP O95630 1/20 0.33
COPS5 Q92905 1/20 0.33
HPGDS O60760 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 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
SCHEMBL21711526 0.74 TSHR (0.42) NNMTSMN1; SMN2TSHR
SCHEMBL4333249 0.68 NNMT (0.44) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL31461682 0.61 NNMT (0.47) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL25787974 0.61 TSHR (0.54) NNMTSMN1; SMN2HPGDSTSHR
SCHEMBL29664524 0.61 NPC1 (0.43) NNMTSMN1; SMN2HPGDSTSHR
SCHEMBL28106132 0.60 NNMT (0.46) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL35211576 0.59 NNMT (0.45) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL9995934 0.59 NNMT (0.39) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL3407188 0.59 NNMT (0.56) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL30255493 0.58 NNMT (0.47) NNMTSMN1; SMN2PSMD14STAMBPCOPS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2022-03-22 US disclosed
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-20200055830-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2020-02-20 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 (3 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-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 NNMT 2689/4885SMN1; SMN2 1067/4885PSMD14 1893/4885
US-20200055830-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 NNMT 2689/4885SMN1; SMN2 1067/4885PSMD14 1893/4885
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 NNMT 2689/4885SMN1; SMN2 1067/4885PSMD14 1893/4885

“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.