SCHEMBL3064348

SCHEMBL3064348

O=C(Nc1ccc2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c2c1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.60
MAPT P10636 2/20 0.52
ROCK2 O75116 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
RNASEH1 O60930 1/20 0.48
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
PDE5A O76074 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43

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
SCHEMBL3056934 0.94 SCD (0.56) SCDMAPTROCK2LMNAMEN1
SCHEMBL3055325 0.82 MAPT (0.57) SCDMAPTMEN1ALDH1A1KMT2A
SCHEMBL3063830 0.81 MAPT (0.52) SCDMAPTMEN1ALDH1A1KMT2A
SCHEMBL2314157 0.78 SCD (0.71) SCDMAPTLMNAMEN1ALDH1A1
SCHEMBL3651494 0.78 RNASEH1 (0.48) MAPTLMNAKMT2ARNASEH1PDE5A
SCHEMBL7383453 0.77 MAPT (0.72) SCDMAPTROCK2LMNAMEN1
SCHEMBL2311672 0.76 SCD (0.62) SCDMAPTROCK2LMNAMEN1
SCHEMBL403310 0.76 PDE5A (0.62) MAPTLMNAALDH1A1KMT2ARNASEH1
SCHEMBL2313190 0.75 SCD (1.00) SCDMAPT
SCHEMBL2316986 0.73 SCD (0.86) SCDMAPTLMNAMEN1ALDH1A1

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
US-20100267752-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US claimed
WO-2010045374-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-04-22 WO claimed
US-20100267752-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US disclosed
US-20100267752-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US disclosed
US-20100267752-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US disclosed
WO-2010045374-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-04-22 WO 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-20100267752-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SCD 1/4885MAPT 4221/4885ROCK2 2263/4885

“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.