SCHEMBL894767

SCHEMBL894767

Nc1cc([N+](=O)[O-])ccc1C(=O)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
GAA P10253 1/20 0.57
IDE P14735 1/20 0.57
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
PAX8 Q06710 1/20 0.55
AKR1C3 P42330 1/20 0.54
HPGD P15428 1/20 0.53
SLC6A9 P48067 4/20 0.53
SLC6A5 Q9Y345 4/20 0.53

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
SCHEMBL3911494 0.86 MAPT (0.70) SMN1; SMN2ALDH1A1TDP1LMNAMAPT
SCHEMBL9760661 0.85 MAPT (0.77) SMN1; SMN2ALDH1A1KDM4ETDP1LMNA
SCHEMBL34464817 0.84 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KDM4ETDP1LMNA
SCHEMBL2306545 0.84 L3MBTL1 (0.58) SMN1; SMN2ALDH1A1TDP1LMNAMAPT
SCHEMBL3836058 0.84 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KDM4ETDP1LMNA
SCHEMBL22766914 0.81 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1KDM4ETDP1LMNA
SCHEMBL17979844 0.81 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1KDM4ETDP1LMNA
SCHEMBL1392258 0.81 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1KDM4ETDP1LMNA
SCHEMBL34472401 0.81 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1KDM4ETDP1LMNA
SCHEMBL4270753 0.81 SLC6A5 (0.62) SMN1; SMN2ALDH1A1KDM4ETDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440204-B1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-12-18 EP disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
EP-2440204-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2012-04-18 EP disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 WO disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT SMN1; SMN2 2328/4885ALDH1A1 2193/4885KDM4E 2606/4885

“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.