SCHEMBL2315906

SCHEMBL2315906

CNC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)cnc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.59
SLC2A1 P11166 2/20 0.56
HDAC1 Q13547 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
MMP13 P45452 3/20 0.55
SCD O00767 2/20 0.53
PDE5A O76074 1/20 0.52
PPARG P37231 1/20 0.50
RECQL P46063 1/20 0.50
MAPK10 P53779 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.49

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
SCHEMBL2314504 0.90 SCD (0.64) HDAC6SLC2A1HDAC1HDAC3HDAC4
SCHEMBL23498234 0.86 SCD (0.59) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2317196 0.86 MMP13 (0.57) HDAC6SLC2A1HDAC1HDAC3HDAC4
SCHEMBL2313995 0.85 MMP13 (0.57) HDAC6SLC2A1HDAC1HDAC3HDAC4
SCHEMBL2312467 0.83 MMP13 (0.64) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL30978198 0.82 HDAC1 (0.69) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL23498233 0.82 HDAC1 (0.69) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL2619417 0.80 HDAC6 (0.64) HDAC6SLC2A1HDAC1HDAC3HDAC4
SCHEMBL4550084 0.79 HDAC6 (0.58) HDAC6SLC2A1HDAC1HDAC3HDAC4
SCHEMBL2611241 0.79 HDAC6 (0.66) HDAC6SLC2A1HDAC1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350029-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-08-03 EP claimed
WO-2010056230-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2010-05-20 WO claimed
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-04-23 US claimed
EP-2350029-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-08-03 EP disclosed
WO-2010056230-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2010-05-20 WO disclosed
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-04-23 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-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 HDAC6 1737/4885SLC2A1 1052/4885HDAC1 764/4885

“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.