SCHEMBL9071102

SCHEMBL9071102

Cc1nc2ccc(OC(F)F)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MEN1 O00255 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
LDHA P00338 1/20 0.47
HTT P42858 1/20 0.45
F2RL3 Q96RI0 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44

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
SCHEMBL10220120 0.81 ACACB (0.44) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2665688 0.81 NPC1 (0.68) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL558343 0.81 RAB9A (0.68) L3MBTL1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29953255 0.80 NPC1 (0.41) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL12963734 0.80 NPC1 (0.53) TDP1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10223635 0.80 NPC1 (0.44) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL422166 0.80 CYP1A2 (0.67) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL19850971 0.78 TDP1 (0.64) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1
Iodomethane SCHEMBL4054071 0.77 CYP1A2 (0.63) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL8261943 0.75 KMT2A (0.69) TDP1L3MBTL1KMT2ASMN1; SMN2NPC1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
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-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 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-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 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-8034819-B2 Glucokinase activator KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-10-11 US disclosed
US-8034819-B2 Glucokinase activator KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-10-11 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
EP-2275414-A1 CYCLOPENTYLACRYLIC ACID AMIDE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2011-01-19 EP disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099671-A1 GLUCOKINASE ACTIVATOR TEIJIN LIMITED (JP) 2010-04-22 US disclosed
US-20100099671-A1 GLUCOKINASE ACTIVATOR TEIJIN LIMITED (JP) 2010-04-22 US disclosed
WO-2009133687-A1 CYCLOPENTYLACRYLIC ACID AMIDE DERIVATIVE 杏林製薬株式会社 (JP) 2009-11-05 WO disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 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 (8 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 TDP1 4684/4885L3MBTL1 1182/4885KMT2A 2903/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 TDP1 689/4885L3MBTL1 3179/4885KMT2A 2891/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 TDP1 689/4885L3MBTL1 3179/4885KMT2A 2891/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 TDP1 4684/4885L3MBTL1 1182/4885KMT2A 2903/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 TDP1 689/4885L3MBTL1 3179/4885KMT2A 2891/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 TDP1 689/4885L3MBTL1 3179/4885KMT2A 2891/4885
US-20100099671-A1 GLUCOKINASE ACTIVATOR GCK, GCKR, GALK1 TDP1 4413/4885L3MBTL1 1992/4885KMT2A 1902/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 TDP1 689/4885L3MBTL1 3179/4885KMT2A 2891/4885

“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.