SCHEMBL2317261

SCHEMBL2317261

COCCNC(=O)c1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.65
SCD O00767 4/20 0.58
ENPP2 Q13822 4/20 0.56
HPGD P15428 1/20 0.56
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.47

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
SCHEMBL2312359 0.93 SCD (0.58) MMP13SCDENPP2HPGDHDAC3
SCHEMBL2319576 0.89 SCD (0.63) MMP13SCDENPP2HPGDHDAC3
SCHEMBL2314382 0.86 SCD (0.68) MMP13SCDENPP2
SCHEMBL2313995 0.83 MMP13 (0.57) MMP13SCDHPGDHDAC3HDAC4
SCHEMBL2317264 0.82 SCD (0.58) MMP13SCDHDAC3HDAC4HDAC1
SCHEMBL2316656 0.82 SCD (0.66) MMP13SCD
SCHEMBL2316920 0.82 SCD (0.63) MMP13SCDHPGDHDAC3HDAC4
SCHEMBL2314691 0.80 SCD (0.61) MMP13SCDHPGDHDAC3HDAC4
SCHEMBL2315445 0.79 SCD (0.63) MMP13SCD
SCHEMBL2311914 0.79 SCD (0.76) SCD

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 MMP13 2270/4885SCD 1/4885ENPP2 1892/4885

“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.