SCHEMBL2491291

SCHEMBL2491291

CCCC(CC(=O)OCC)n1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39

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
SCHEMBL2488326 0.83 ITGB3 (0.40) LMNAKDM4EALDH1A1KMT2AGAA
SCHEMBL2491385 0.82 ALDH1A1 (0.42) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL7354759 0.76 RAB9A (0.52) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL2493303 0.76 SRD5A2 (0.46) LMNAALDH1A1KMT2ARAB9ANPC1
SCHEMBL7417377 0.74 MAPT (0.49) MAPTLMNAKDM4EALDH1A1KMT2A
SCHEMBL27399298 0.72 TSHR (0.42) MAPTALDH1A1KMT2A
SCHEMBL27658178 0.72 MEN1 (0.42) MAPTLMNAALDH1A1KMT2AMAPK1
SCHEMBL21671875 0.72 SLC6A2 (0.41) MAPTLMNAKMT2A
SCHEMBL29992471 0.71 MEN1 (0.49) MAPTLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL3481288 0.71 MEN1 (0.49) MAPTLMNAALDH1A1KMT2ASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
US-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester LU TIANBO 2007-09-20 US disclosed
US-7241789-B2 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) 2007-07-10 US disclosed
US-20050250771-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 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 (4 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-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester ITGA5, ADGRE5, ITGAV MAPT 3128/4885LMNA 1579/4885KDM4E 1575/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 MAPT 2981/4885LMNA 2787/4885KDM4E 1764/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 MAPT 3489/4885LMNA 2941/4885KDM4E 1966/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 MAPT 2916/4885LMNA 2867/4885KDM4E 1782/4885

“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.