SCHEMBL5622006

SCHEMBL5622006

COC(=O)c1cc2ccc(OC)cc2n1C#N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
MTNR1A P48039 5/20 0.52
MTNR1B P49286 5/20 0.52
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CCR9 P51686 1/20 0.41
CCR2 P41597 1/20 0.41
PTGS2 P35354 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
NQO1 P15559 1/20 0.39
PTGS1 P23219 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL5622293 0.84 KDM4E (0.42) L3MBTL1MTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL5622754 0.80 MTNR1A (0.61) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL2272634 0.80 L3MBTL1 (0.80) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL4708326 0.78 MTNR1A (0.43) L3MBTL1MTNR1AMTNR1BKDM4EPTGS2
SCHEMBL5623096 0.76 MAPT (0.49) L3MBTL1KDM4EHSD17B10
SCHEMBL6440148 0.72 MAPT (0.53) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL21490334 0.72 L3MBTL1 (0.52) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL29443054 0.72 L3MBTL1 (0.52) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL5426590 0.72 L3MBTL1 (1.00) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL5624192 0.71 CCR2 (0.42) L3MBTL1MTNR1AMTNR1BKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents BAYER HEALTHCARE AG (DE) 2007-08-09 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-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents TYMP, RPL35, EIF2AK2 L3MBTL1 4509/4885MTNR1A 3754/4885MTNR1B 3759/4885

“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.