SCHEMBL9899723

SCHEMBL9899723

Nc1cc(N2CCC[C@@H]2CO)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
CUL4A Q13619 1/20 0.45
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TYMP P19971 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9899724 1.00 MAPT (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9899670 0.85 MAPT (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9899672 0.85 MAPT (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9900059 0.85 MAPT (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9899367 0.83 NR1I2 (0.38) CUL4ATYMPKDM4EPOLBL3MBTL1
SCHEMBL9899369 0.83 NR1I2 (0.38) CUL4ATYMPKDM4EPOLBL3MBTL1
SCHEMBL4855503 0.81 LMNA (0.56) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6212116 0.81 LMNA (0.56) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL15033783 0.79 SOS1 (0.40) CUL4ATYMPPOLB
SCHEMBL9899970 0.78 MAPT (0.56) MAPTALDH1A1MEN1KMT2ALMNA

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-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES MAPT 4308/4885ALDH1A1 140/4885MEN1 4309/4885

“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.