SCHEMBL4851386

SCHEMBL4851386

COC(=O)C1C=CC=CC1(Oc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
TSHR P16473 3/20 0.32
MAPK1 P28482 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.31
AURKA O14965 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPT P10636 3/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 2/20 0.30
ABCC4 O15439 1/20 0.30
PLIN1 O60240 1/20 0.30
CACNA1F O60840 1/20 0.30
GMNN O75496 1/20 0.30
KCNK2 O95069 1/20 0.30
ABCB11 O95342 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9788468 0.87 MEN1 (0.33) KMT2AMEN1
SCHEMBL7228189 0.71 ALDH1A1 (0.35) HTTTSHRPOLBMAPTKMT2A
SCHEMBL5242880 0.70
SCHEMBL22497382 0.70
SCHEMBL29448241 0.70
SCHEMBL11109653 0.69 S1PR4 (0.37) HTTMAPK1CYP3A4CYP1A2CYP2D6
SCHEMBL9512774 0.69 ENPP2 (0.35) TSHRCYP3A4CYP1A2CYP2D6MAPT
SCHEMBL32662855 0.69
SCHEMBL16429623 0.68 MEN1 (0.35) AURKAKMT2AALDH1A1CYP2C19KCNA1
SCHEMBL8405244 0.67

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-7456185-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2008-11-25 US disclosed
US-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors DUNN JAMES P 2007-07-19 US disclosed
US-7238698-B2 Substituted quinazoline compounds useful as p38 kinase inhibitors ROCHE PALO ALTO LLC (US) 2007-07-03 US disclosed
EP-1620408-A2 QUINAZOLINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP disclosed
WO-2004092144-A2 QUINAZOLINE COMPOUNDS USEFUL AS P38 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 WO disclosed
US-20040209904-A1 Substituted quinazoline compounds useful as P38 kinase inhibitors ROCHE PALO ALTO LLC 2004-10-21 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 (2 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-20070167471-A1 Substituted quinazoline compounds useful as p38 kinase inhibitors MAPK1, MAPK7, MAPK3 HTT 4013/4885TSHR 1865/4885MAPK1 1/4885
US-20040209904-A1 Substituted quinazoline compounds useful as P38 kinase inhibitors MAPK1, MAPK4, MAPK7 HTT 4558/4885TSHR 2870/4885MAPK1 1/4885

“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.