SCHEMBL1853364

SCHEMBL1853364

Nc1cc(-c2cccc(F)c2)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
IDO1 P14902 2/20 0.53
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 2/20 0.47
MITF O75030 1/20 0.47
DYRK1A Q13627 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
MAPT P10636 3/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 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
Tert-Butyl Formate SCHEMBL27799791 0.84 LMNA (0.46) LMNAIDO1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1702207 0.79 ALDH1A1 (0.67) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL330565 0.79 ALDH1A1 (0.66) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL28572920 0.79 SMN1; SMN2 (0.66) LMNAIDO1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7125769 0.79 IDO1 (0.49) LMNAIDO1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6967479 0.79 MKNK1 (0.66) LMNAIDO1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6960706 0.79 ALDH1A1 (0.66) LMNAIDO1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30512092 0.79 SMN1; SMN2 (0.66) LMNAIDO1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28206752 0.79 IDO1 (0.49) LMNAIDO1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7001664 0.78 KDR (0.60) LMNAIDO1KMT2AALDH1A1SMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876482-B Polysubstituted heterocyclic derivative, preparation method and medical application thereof 中国药科大学 2023-07-28 CN disclosed
CN-112876482-A Polysubstituted heterocyclic derivative, preparation method and medical application thereof 中国药科大学 2021-06-01 CN disclosed
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
CN-101679287-B Nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2013-03-27 CN disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
CN-101679287-A nicotinic acetylcholine receptor modulators SIENA BIOTECH SPA 2010-03-24 CN 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
CN-101374810-A Modulators of alpha7 nicotinic acetylcholine receptors and therapeutic uses thereof SIENA BIOTECH SPA (IT) 2009-02-25 CN disclosed
EP-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 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 LMNA 3509/4885IDO1 1208/4885KMT2A 2721/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 LMNA 3205/4885IDO1 1195/4885KMT2A 2452/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 LMNA 3871/4885IDO1 593/4885KMT2A 2017/4885

“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.