SCHEMBL2076719

SCHEMBL2076719

O=C(Cl)COc1ccc(F)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
NPC1 O15118 2/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MCL1 Q07820 1/20 0.45
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SOS1 Q07889 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ATF4 P18848 1/20 0.41
FFAR1 O14842 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.40
SCN5A Q14524 1/20 0.40

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
SCHEMBL30026239 0.86 MCL1 (0.61) MAPTNPC1MAPK1HSD17B10MCL1
SCHEMBL1576408 0.86 MCL1 (0.61) MAPTNPC1MAPK1HSD17B10MCL1
SCHEMBL21436881 0.86 ATF4 (0.53) MAPTNPC1MAPK1HSD17B10MCL1
SCHEMBL14683466 0.85 MAPT (0.58) MAPTNPC1MAPK1HSD17B10MCL1
SCHEMBL11948007 0.85 MAPT (0.58) MAPTNPC1MAPK1HSD17B10MCL1
SCHEMBL29689485 0.84 MCL1 (0.53) NPC1MCL1RAB9ASMN1; SMN2MEN1
SCHEMBL7413146 0.84 MCL1 (0.53) NPC1MCL1RAB9ASMN1; SMN2MEN1
SCHEMBL1256959 0.82 NPC1 (0.56) MAPTNPC1MAPK1HSD17B10
SCHEMBL12468989 0.82 MAPT (0.56) MAPTNPC1MAPK1HSD17B10MCL1
SCHEMBL30342219 0.82 MAPT (0.63) MAPTNPC1MAPK1HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218851-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-12 CN disclosed
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 US disclosed
EP-3704091-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 EP disclosed
EP-3212647-B1 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG A ST CO LTD (KR) 2019-04-03 EP disclosed
US-9834550-B2 Pyridopyrimidinone compounds for modulating the catalytic activity of histone lysine demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-12-05 US disclosed
US-9834550-B2 Pyridopyrimidinone compounds for modulating the catalytic activity of histone lysine demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-12-05 US disclosed
US-9834550-B2 Pyridopyrimidinone compounds for modulating the catalytic activity of histone lysine demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-12-05 US disclosed
EP-3212647-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) Dong-A ST Co., Ltd. (KR) 2017-09-06 EP disclosed
WO-2016068580-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2016-05-06 WO disclosed
WO-2016068580-A2 NOVEL PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2016-05-06 WO disclosed
US-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2016-05-05 US disclosed
US-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2016-05-05 US disclosed
US-8362032-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
EP-1891063-B1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2012-07-25 EP disclosed
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7786137-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20090012117-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-01-08 US disclosed
CN-101218235-A Bicyclic derivatives as modulators of ion channels VERTEX PHARMA (US) 2008-07-09 CN disclosed
EP-1891063-A2 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-02-27 EP disclosed
WO-2006122014-A2 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-16 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-20090012117-A1 Bicyclic derivatives as modulators of ion channels CACNA1C, CACNA1B, CACNA1D MAPT 2309/4885NPC1 1028/4885MAPK1 3665/4885
US-20110059965-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS CACNA1C, CACNA1B, CACNA1D MAPT 2309/4885NPC1 1028/4885MAPK1 3665/4885
US-20160122343-A1 Novel Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) KDM1B, KDM1A, KDM3B MAPT 3081/4885NPC1 4377/4885MAPK1 982/4885
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, IRF3 MAPT 3796/4885NPC1 1252/4885MAPK1 160/4885

“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.