SCHEMBL3060558

SCHEMBL3060558

O=c1oc(Cc2ccc(Cl)c(Cl)c2)nc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C1R P00736 3/20 0.52
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
HSD17B10 Q99714 1/20 0.44
APEX1 P27695 1/20 0.43
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
ELANE P08246 2/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PTGES O14684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CCR2 P41597 2/20 0.40
ACHE P22303 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3071971 0.80 RNASEH1 (0.51) C1RHSD17B10MEN1KMT2AMAPT
SCHEMBL1460734 0.76 MEN1 (0.72) C1RMEN1KMT2AELANEMAPT
SCHEMBL1462182 0.75 KMT2A (0.67) C1RMEN1KMT2AELANEMAPT
SCHEMBL7108085 0.75 KMT2A (0.62) C1RAPEX1MEN1KMT2AELANE
SCHEMBL1041446 0.72 F7 (0.52) C1RF7F3HSD17B10MEN1
SCHEMBL9508472 0.71 F7 (0.59) C1RF7F3HSD17B10APEX1
SCHEMBL15799546 0.70 APEX1 (0.56) C1RF7F3APEX1MEN1
SCHEMBL6567163 0.70 APEX1 (0.55) C1RF7F3APEX1MEN1
SCHEMBL6567235 0.70 MEN1 (0.72) C1RF7F3APEX1MEN1
SCHEMBL914083 0.70 APEX1 (0.68) C1RF7F3APEX1MEN1

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 5 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 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
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 C1R 4380/4885F7 4832/4885F3 2358/4885

“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.