SCHEMBL4240411

SCHEMBL4240411

Cc1n[nH]c2c(C(F)(F)F)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ AXL P30530 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ TRPA1 O75762 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ AR P10275 2/20 0.39
▸ P2RX7 Q99572 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36

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
SCHEMBL13305120 0.84 KIF11 (0.47) KIF11ALDH1A1CYP1A2
SCHEMBL13122112 0.80 KIF11 (0.47) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL2661233 0.80 CHEK1 (0.55) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL13115644 0.79 KIF11 (0.44) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL10220393 0.79 KIF11 (0.47) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL4493290 0.79 KIF11 (0.46) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL20674188 0.79 KIF11 (0.46) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL25639073 0.78 CYP1A2 (0.33) KIF11CYP1A2
SCHEMBL10271522 0.78 KIF11 (0.46) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL8404432 0.77 AHR (0.47) KIF11HSD17B10ALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 — — US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 — — US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 — — US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 — — US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 — — US 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 (6 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-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KIF11 3578/4885SMN1; SMN2 813/4885KDM4E 3667/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KIF11 3578/4885SMN1; SMN2 813/4885KDM4E 3667/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KIF11 3578/4885SMN1; SMN2 813/4885KDM4E 3667/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KIF11 3578/4885SMN1; SMN2 813/4885KDM4E 3667/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KIF11 3578/4885SMN1; SMN2 813/4885KDM4E 3667/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 KIF11 3734/4885SMN1; SMN2 2238/4885KDM4E 1126/4885

“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.

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