SCHEMBL1854891

SCHEMBL1854891

COC(=O)c1cccc(OC(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 3/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
TP53 P04637 2/20 0.54
NPC1 O15118 2/20 0.53
ATM Q13315 1/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50

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
SCHEMBL30744976 1.00 LMNA (0.56) LMNAKDM4EKMT2AMEN1NPSR1
SCHEMBL7466621 0.91 KMT2A (0.51) LMNAKDM4EKMT2AMEN1NPSR1
SCHEMBL4112022 0.85 RAB9A (0.61) LMNAKMT2AMEN1NPSR1MAPT
SCHEMBL27672005 0.84 SMN1; SMN2 (0.55) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL6174966 0.84 SMN1; SMN2 (0.59) LMNAKDM4EKMT2AMEN1RAB9A
SCHEMBL4035515 0.84 MAPT (0.56) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL3855637 0.84 CA1 (0.48) LMNAKDM4EMAPTTDP1GAA
SCHEMBL24803508 0.83 LMNA (0.53) LMNAKDM4EKMT2AMEN1NPSR1
SCHEMBL6283849 0.83 SMN1; SMN2 (0.54) LMNAKDM4EKMT2AMEN1MAPT
SCHEMBL24803573 0.83 KMT2A (0.51) LMNAKDM4EKMT2AMEN1NPSR1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115210235-A 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2022-10-18 CN disclosed
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP 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-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US 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
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 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-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US 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 (4 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 3509/4885KDM4E 3606/4885KMT2A 2721/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 LMNA 3205/4885KDM4E 3395/4885KMT2A 2452/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 LMNA 3871/4885KDM4E 2539/4885KMT2A 2017/4885
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 LMNA 3364/4885KDM4E 1317/4885KMT2A 364/4885

“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.