SCHEMBL396111

SCHEMBL396111

CCOC(=O)C(C(=O)O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
FBP1 P09467 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 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
SCHEMBL14334237 0.93 ALDH1A1 (0.50) MAPTALDH1A1TDP1ATML3MBTL1
SCHEMBL3363361 0.90 MAPT (0.50) MAPTALDH1A1TDP1ATML3MBTL1
SCHEMBL27340179 0.87 MAPT (0.48) MAPTALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL3866824 0.85 ATM (0.53) MAPTALDH1A1TDP1ATMHTT
SCHEMBL7057325 0.85 ATM (0.53) MAPTALDH1A1TDP1ATMHTT
SCHEMBL31198057 0.85 MAPT (0.47) MAPTALDH1A1TDP1ATML3MBTL1
SCHEMBL31198065 0.85 MAPT (0.47) MAPTALDH1A1TDP1ATML3MBTL1
SCHEMBL28252420 0.84 MAPT (0.49) MAPTALDH1A1TDP1ATML3MBTL1
SCHEMBL4262705 0.84 MAPT (0.48) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL12466651 0.83 MAPT (0.53) MAPTALDH1A1TDP1ATML3MBTL1

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-8101608-B2 3-(4-Methyl-imidazol-1-yl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-5-trifluoromethyl-benzamide; including benign and malignant proliferative disorders as well as diseases resulting from inappropriate activation of the immune and nervous systems IRM LLC, a Delware Limited Corporation (BM) 2012-01-24 US disclosed
EP-1814545-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-06-10 EP disclosed
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-09-11 US disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
EP-1814545-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-08-08 EP disclosed
US-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof NOVARTIS AG (CH) 2006-11-02 US disclosed
WO-2006052936-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-18 WO disclosed
EP-1592426-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2005-11-09 EP disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 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 (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-20060247251-A1 2-Cyanopyrrolopyrimidines and pharmaceutical uses thereof DPYD, P2RY1, P2RY2 MAPT 2788/4885ALDH1A1 979/4885TDP1 187/4885
US-20080221192-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, FRK, PTK2B MAPT 1205/4885ALDH1A1 4834/4885TDP1 1189/4885

“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.