SCHEMBL738515

SCHEMBL738515

COCCCNc1c(C(=O)OC)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
CDK2 P24941 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL23273490 0.92 MEN1 (0.52) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL3668560 0.89 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL762575 0.89 MAPT (0.52) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL7015793 0.88 MAPT (0.48) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL3668042 0.88 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL27325815 0.86 MAPT (0.47) ALDH1A1L3MBTL1HTTMAPK1KMT2A
SCHEMBL2087478 0.86 KDM4E (0.54) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL14249239 0.83 SMN1; SMN2 (0.49) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL738697 0.81 MAPT (0.54) ALDH1A1L3MBTL1HTTMAPK1KMT2A
SCHEMBL29154915 0.80 TDP1 (0.42) ALDH1A1MAPK1SMN1; SMN2MAPT

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
EP-2429969-A1 NEW PIGMENT SYSTEM FOR COLORING CEMENT SYSTEMS, IN PARTICULAR CONCRETE Harold Scholz&Co. GmbH (DE) 2012-03-21 EP disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 US disclosed
US-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 US disclosed
US-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2011-03-24 US disclosed
WO-2010130314-A1 NEW PIGMENT SYSTEM FOR COLORING CEMENT SYSTEMS, IN PARTICULAR CONCRETE HAROLD SCHOLZ & CO. GMBH (DE) 2010-11-18 WO disclosed
WO-2007133983-A2 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-11-22 WO disclosed
WO-2007133983-A2 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-11-22 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-20110071130-A1 2-AMINOBENZIMIDAZOLES FOR TREATING NEURODEGENERATIVE DISEASES ADORA2A, ADORA2B, ADORA1 ALDH1A1 521/4885L3MBTL1 4014/4885HTT 242/4885

“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.