SCHEMBL4089445

SCHEMBL4089445

Nc1cc(N2CCCOC2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
MAPT P10636 13/20 0.52
RECQL P46063 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 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
SCHEMBL18630756 0.83 MAPT (0.47) LMNAMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL4090586 0.81 F10 (0.36) LMNAMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL20772454 0.79 LMNA (0.64) LMNAMAPTRECQLSIRT6TSHR
SCHEMBL4410240 0.79 MAPT (0.50) LMNAMAPTSIRT6ALDH1A1SMN1; SMN2
SCHEMBL14580058 0.77 ATM (0.45) LMNAMAPTRECQLSIRT6TDP1
SCHEMBL16704191 0.77 HPGD (0.56) LMNAMAPTSIRT6TSHRALDH1A1
SCHEMBL31347244 0.77 ATM (0.45) LMNAMAPTRECQLSIRT6TDP1
SCHEMBL991899 0.76 LMNA (0.56) LMNAMAPTRECQLSIRT6TSHR
SCHEMBL3109069 0.75 LMNA (1.00) LMNAMAPTRECQLSIRT6ALDH1A1
SCHEMBL30059159 0.75 LMNA (1.00) LMNAMAPTRECQLSIRT6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 LMNA 3689/4885MAPT 3571/4885RECQL 1005/4885

“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.