SCHEMBL557950

SCHEMBL557950

Clc1s[c]nc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34

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
SCHEMBL330399 0.76 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL331177 0.74 RARA (0.40) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL557949 0.70 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL2301856 0.69 ALDH1A1 (0.50) KDM4EALDH1A1HPGDGLAL3MBTL1
SCHEMBL3277191 0.69 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL468159 0.69 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL3185311 0.68 CALM1 (0.39) KDM4EALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL330380 0.67 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL17625948 0.65 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL12788076 0.65 LMNA (0.50) KDM4EALDH1A1SMN1; SMN2HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230390259-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-12-07 US claimed
US-20210085658-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. 2021-03-25 US claimed
CN-111670180-A Fluoroalkenyl compounds, process for their preparation and their use PI工业有限公司 2020-09-15 CN claimed
US-10456385-B2 Pharmaceutical composition comprising pyridone derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2019-10-29 US claimed
US-20180263965-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO LTD (KR) 2018-09-20 US claimed
US-9987259-B2 Pharmaceutical composition comprising pyridone derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2018-06-05 US claimed
US-20160166552-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO LTD (KR) 2016-06-16 US claimed
US-9271976-B2 Pharmaceutical composition comprising pyridone derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2016-03-01 US claimed
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP claimed
US-20150111901-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOBPHARMACEUTICALS CO LTD (KR) 2015-04-23 US claimed
WO-2011056503-A1 AZABICYCLO[2.2.1] HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-12 WO claimed
WO-2011056573-A1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-12 WO claimed
EP-2271650-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2011-01-12 EP claimed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US claimed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US claimed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US claimed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO claimed
WO-1992012130-A1 PIPERIDINE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1992-07-23 WO claimed
EP-0494717-A1 Piperidine derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-07-15 EP claimed
US-4259336-A ANALGESIC, ANTIPYRETIC, ANTITHROMBOTIC, ANTIPHLOGISTIC BOEHRINGER INGELHEIM GMBH (DE) 1981-03-31 US claimed

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-20150111901-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES PLPBP, PDXK, PIR KDM4E 2597/4885ALDH1A1 2259/4885SMN1; SMN2 724/4885
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885ALDH1A1 1082/4885SMN1; SMN2 813/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885ALDH1A1 1082/4885SMN1; SMN2 813/4885
US-20180263965-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES PLPBP, PDXK, PIR KDM4E 2597/4885ALDH1A1 2259/4885SMN1; SMN2 724/4885
US-20230390259-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES PLPBP, PDXK, PIR KDM4E 2597/4885ALDH1A1 2259/4885SMN1; SMN2 724/4885
US-20160166552-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES PLPBP, PDXK, PIR KDM4E 2597/4885ALDH1A1 2259/4885SMN1; SMN2 724/4885
US-10456385-B2 Pharmaceutical composition comprising pyridone derivatives PLPBP, PDXK, PIR KDM4E 2597/4885ALDH1A1 2259/4885SMN1; SMN2 724/4885
US-20210085658-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDONE DERIVATIVES PLPBP, PDXK, PNPO KDM4E 2417/4885ALDH1A1 2119/4885SMN1; SMN2 816/4885

“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.