SCHEMBL2313385

SCHEMBL2313385

NC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc2c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 5/20 0.64
▸ MMP13 P45452 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PDE5A O76074 1/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ SLC2A1 P11166 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
SCHEMBL2314932 0.90 SCD (0.66) SCDMMP13SMN1; SMN2MAPK1PDE5A
SCHEMBL2314504 0.86 SCD (0.64) SCDMMP13SMN1; SMN2MAPK1HDAC6
SCHEMBL2315445 0.85 SCD (0.63) SCDMMP13SLC2A1
SCHEMBL2312640 0.83 SCD (0.63) SCDSMN1; SMN2MAPK1PDE5AHDAC6
SCHEMBL2316920 0.83 SCD (0.63) SCDMMP13HDAC6HDAC1HDAC3
SCHEMBL27660571 0.82 MMP13 (0.56) SCDMMP13SMN1; SMN2PDE5AHDAC6
SCHEMBL2314293 0.81 MMP13 (0.61) SCDMMP13SLC2A1
SCHEMBL2314691 0.81 SCD (0.61) SCDMMP13HDAC6HDAC1HDAC3
SCHEMBL3087107 0.81 SCD (0.63) SCDSMN1; SMN2MAPK1PDE5AHDAC6
SCHEMBL2312359 0.81 SCD (0.58) SCDMMP13HDAC6HDAC1HDAC3

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 SCD 1/4885MMP13 2270/4885SMN1; SMN2 3593/4885

“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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