SCHEMBL2843060

SCHEMBL2843060

N#CC(=O)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.57
LMNA P02545 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
P4HTM Q9NXG6 1/20 0.57
ALDH1A1 P00352 6/20 0.55
GSK3B P49841 1/20 0.55
KMT2A Q03164 1/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 5/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
GRM4 Q14833 2/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL30503379 1.00 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL7522226 0.81 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL5633514 0.79 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
Water SCHEMBL6228901 0.78 KMT2A (0.72) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL9392450 0.76 L3MBTL1 (0.53) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL11195496 0.76 KDM4E (0.52) L3MBTL1LMNAALDH1A1KMT2ARAB9A
SCHEMBL11612388 0.76
2-Picolinic Acid SCHEMBL27990131 0.76 LMNA (0.95) CES2CES1L3MBTL1LMNANAPRT
2-Picolinic Acid SCHEMBL542554 0.76 LMNA (0.95) CES2CES1L3MBTL1LMNANAPRT
2-Picolinic Acid SCHEMBL27258691 0.76 LMNA (0.95) CES2CES1L3MBTL1LMNANAPRT

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
WO-2020167663-A1 ANTI-FIBROTIC NEU3 INHIBITOR COMPOUNDS AND METHODS OF USE THE TEXAS A&M UNIVERSITY SYSTEM (US) 2020-08-20 WO disclosed
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
US-20090264648-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-10-22 US disclosed
WO-2009091832-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-07-23 WO disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 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 (3 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 CES2 524/4885CES1 700/4885L3MBTL1 4543/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CES2 479/4885CES1 633/4885L3MBTL1 4320/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 CES2 463/4885CES1 572/4885L3MBTL1 4682/4885

“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.