SCHEMBL2317430

SCHEMBL2317430

Cc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 6/20 0.63
▸ FSCN1 Q16658 3/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ TRPA1 O75762 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ UBE2N P61088 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 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
SCHEMBL2315711 0.85 SCD (0.63) SCDFSCN1SMN1; SMN2MAPK1LMNA
SCHEMBL29065789 0.84 GRK2 (0.65) SMN1; SMN2TRPA1TP53
SCHEMBL14048851 0.83 SCD (0.60) SCDFSCN1SMN1; SMN2MAPK1HTT
SCHEMBL19338476 0.82 MMP13 (0.65) TRPA1TP53HDAC3HDAC4HDAC1
SCHEMBL2316656 0.82 SCD (0.66) SCD
SCHEMBL2314629 0.81 SCD (0.59) SCDSMN1; SMN2MAPK1LMNA
SCHEMBL2317121 0.81 SCD (0.79) SCDSMN1; SMN2LMNA
SCHEMBL2317550 0.80 SCD (0.68) SCD
SCHEMBL2318655 0.80 SCD (0.84) SCD
SCHEMBL28634877 0.80 MCL1 (0.54) SCDSMN1; SMN2TRPA1LMNAHTT

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
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 1/4885FSCN1 4755/4885SMN1; 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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