SCHEMBL15329253

SCHEMBL15329253

CCOC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL12501407 0.86 NPC1 (0.48) MAPTALDH1A1HPGDNPC1KDM4E
SCHEMBL12501493 0.84 CDK1 (0.49) MAPTALDH1A1HPGDNPC1KDM4E
SCHEMBL12501291 0.83 ALDH1A1 (0.56) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL26660694 0.81 KDM4E (0.51) MAPTALDH1A1HPGDNPC1KDM4E
SCHEMBL3493986 0.80 KDM4E (0.50) MAPTALDH1A1HPGDNPC1KDM4E
SCHEMBL3276252 0.78 KDM4E (0.57) MAPTALDH1A1HPGDNPC1KDM4E
SCHEMBL2661272 0.78 XDH (0.58) MAPTALDH1A1HPGDNPC1KDM4E
SCHEMBL1277858 0.76 RAB9A (0.52) MAPTALDH1A1HPGDNPC1KDM4E
SCHEMBL656156 0.76 KDM4E (0.67) MAPTALDH1A1HPGDNPC1KDM4E
SCHEMBL2660383 0.75 XDH (0.50) MAPTALDH1A1HPGDNPC1KDM4E

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
EP-2838895-B1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-9096579-B2 Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
EP-2838895-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2015-02-25 EP disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 US disclosed
WO-2013156608-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 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-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments INMT, IDO1, CHRM1 MAPT 1321/4885ALDH1A1 893/4885HPGD 1263/4885

“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.