SCHEMBL1856463

SCHEMBL1856463

COc1ccc(-c2cc(NC(=O)C(C)CCCBr)n(C(=O)OC(C)(C)C)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA3 P0DMS8 5/20 0.37
ADORA2B P29275 1/20 0.37
LTB4R Q15722 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 3/20 0.35
CTSL P07711 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL1856722 0.90 MAPT (0.38) ALDH1A1MEN1TSHRKMT2AADORA3
SCHEMBL1851688 0.83 KCNH2 (0.51) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL13426455 0.76 HTT (0.45) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL13322399 0.74 TBK1 (0.41) HPGD
SCHEMBL4434945 0.73 MAPT (0.49) HTTALDH1A1ADORA3LTB4RMAPT
SCHEMBL13322400 0.73 TBK1 (0.40) HPGD
SCHEMBL13426352 0.73 HTT (0.48) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL1862123 0.72 HTT (0.53) HTTALDH1A1KDM4EHPGDMEN1
SCHEMBL13322395 0.71 JAK2 (0.35) MEN1TSHRKMT2AMAPTTP53
SCHEMBL2846484 0.70 MAPK14 (0.39)

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 5 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

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 HTT 1855/4885ALDH1A1 1232/4885KDM4E 3606/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 HTT 1022/4885ALDH1A1 2163/4885KDM4E 3395/4885

“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.