SCHEMBL1856722

SCHEMBL1856722

CC(CCCBr)C(=O)Nc1cc(-c2ccc(Cl)cc2)nn1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
LTB4R Q15722 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTPN1 P18031 1/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1856463 0.90 HTT (0.38) MAPTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL13426422 0.75 TSHR (0.40) MAPTPOLBSMN1; SMN2MAPK1MEN1
SCHEMBL1851688 0.73 KCNH2 (0.51) MEN1KMT2AALDH1A1TSHR
Tert-Butyl Formate SCHEMBL27799795 0.73 MAPT (0.40) MAPTSMN1; SMN2MAPK1LTB4RLMNA
SCHEMBL4430204 0.72 MAPT (0.45) MAPTSMN1; SMN2MAPK1LTB4RLMNA
SCHEMBL13425845 0.72 TSHR (0.43) MAPTPOLBSMN1; SMN2MAPK1MEN1
SCHEMBL13322395 0.72 JAK2 (0.35) MAPTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL1852959 0.71 TSHR (0.50) MAPTPOLBSMN1; SMN2MAPK1MEN1
Tert-Butyl Formate SCHEMBL27799800 0.71 MAPK1 (0.33) MAPTPOLBMAPK1L3MBTL1ALDH1A1
SCHEMBL13322399 0.71 TBK1 (0.41)

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
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
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
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 (2 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 MAPT 933/4885POLB 4012/4885SMN1; SMN2 2002/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 MAPT 501/4885POLB 3664/4885SMN1; SMN2 1693/4885

“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.