SCHEMBL4857147

SCHEMBL4857147

NC(=O)c1cc(Oc2ccc(F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.58
TDP1 Q9NUW8 3/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
KMT2A Q03164 1/20 0.47
SCN4A P35499 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
F10 P00742 1/20 0.43
BRD4 O60885 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3888921 0.89 TDP1 (0.60) HSPB1TDP1ATMMEN1TTR
SCHEMBL4851442 0.85 TDP1 (0.65) HSPB1TDP1ATMMEN1TTR
SCHEMBL590089 0.81 TDP1 (0.56) HSPB1TDP1ATMMEN1TTR
SCHEMBL20155384 0.81 HSPB1 (0.53) HSPB1TDP1ATMBRD4MAPT
SCHEMBL4855967 0.80 HSPB1 (0.50) HSPB1SCN4ABRD4ALDH1A1
SCHEMBL9655274 0.79 HSPB1 (0.56) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL28501068 0.78 HSPB1 (0.62) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL10789623 0.78 TDP1 (0.74) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10786312 0.77 MEN1 (0.73) HSPB1TDP1MEN1TTRPPOX
SCHEMBL3894822 0.77 TDP1 (0.57) HSPB1TDP1MEN1TTRPPOX

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 9 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-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-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
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 HSPB1 953/4885TDP1 1315/4885ATM 409/4885
US-20040209904-A1 Substituted quinazoline compounds useful as P38 kinase inhibitors MAPK1, MAPK4, MAPK7 HSPB1 638/4885TDP1 1270/4885ATM 509/4885

“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.