SCHEMBL1853282

SCHEMBL1853282

CC(=O)Nc1nc(-c2ccc(OC(F)F)cc2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
ADORA3 P0DMS8 4/20 0.40
F2RL3 Q96RI0 1/20 0.39
ALOX15 P16050 1/20 0.38
GFER P55789 1/20 0.38
ADAM17 P78536 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
STING1 Q86WV6 1/20 0.38
FYN P06241 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
PTPN7 P35236 1/20 0.38
RECQL P46063 1/20 0.38
DUSP3 P51452 1/20 0.38

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
SCHEMBL1856373 0.82 ADORA3 (0.59) ADORA3DYRK1A
SCHEMBL2380377 0.81 ADORA3 (0.54) NPC1RAB9AADORA3TDO2KDM4E
SCHEMBL8012523 0.78 XDH (0.44) NPC1PKMADORA3KDM4EMEN1
SCHEMBL4519009 0.78 ADORA3 (0.53) NPC1RAB9AADORA3ALOX15GFER
SCHEMBL10117774 0.78 ALDH1A1 (0.42) NPC1RAB9AADORA3KDM4EMEN1
SCHEMBL1201878 0.78 ADORA3 (0.55) NPC1RAB9AADORA3ALOX15KDM4E
SCHEMBL6238340 0.77 ADORA3 (0.56) ADORA3IDO1KDM4EMEN1KMT2A
SCHEMBL1862023 0.76 CHRNA3 (0.46) WNT1GSK3BDYRK1AALDH1A1
SCHEMBL7232377 0.76 NPC1 (0.58) NPC1RAB9AADORA3KDM4EMEN1
SCHEMBL8012036 0.75 LMNA (0.41) ADORA3ALOX15KDM4EMEN1KMT2A

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 NPC1 1459/4885PKM 2951/4885RAB9A 1741/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 NPC1 983/4885PKM 3588/4885RAB9A 1275/4885

“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.