SCHEMBL4799732

SCHEMBL4799732

COc1nc(-c2ccccc2)ccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 3/20 0.49
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 7/20 0.48
MAPT P10636 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TDO2 P48775 1/20 0.48
HSD17B10 Q99714 6/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 6/20 0.43
USP2 O75604 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL30772447 1.00 SQOR (0.49) SQORKDM4EALDH1A1MAPTRAB9A
SCHEMBL12427715 0.97 SQOR (0.46) SQORKDM4EALDH1A1MAPTRAB9A
SCHEMBL28623786 0.84 NPC1 (0.52) SQORKDM4EALDH1A1RAB9ANPC1
SCHEMBL29817390 0.83 CD274 (0.62) SQOR
SCHEMBL14931777 0.83 ALDH1A1 (0.58) SQORKDM4EALDH1A1MAPTRAB9A
SCHEMBL12427713 0.83 TDO2 (0.38) SQORKDM4EALDH1A1MAPTRAB9A
SCHEMBL12427717 0.83 NPSR1 (0.40) SQORKDM4EALDH1A1MAPTRAB9A
SCHEMBL12427716 0.80 F2RL3 (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL8218294 0.79 LMNA (0.46) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL12427721 0.79 KDM1A (0.45) KDM4EALDH1A1SMN1; SMN2HSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105330595-B pyridine derivatives and their use as antimycobacterial agents 上海嘉坦医药科技有限公司 2019-12-10 CN disclosed
EP-3170810-B1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO LTD (CN) 2018-09-19 EP disclosed
US-9878982-B2 Pyridine derivatives and anti-mycobacterial use thereof CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-30 US disclosed
US-9878982-B2 Pyridine derivatives and anti-mycobacterial use thereof CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-30 US disclosed
US-9878982-B2 Pyridine derivatives and anti-mycobacterial use thereof CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-30 US disclosed
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO., LTD. (CN) 2017-06-22 US disclosed
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO., LTD. (CN) 2017-06-22 US disclosed
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO., LTD. (CN) 2017-06-22 US disclosed
EP-3170810-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF Cisen Pharmaceutical Co. Ltd. (CN) 2017-05-24 EP disclosed
EP-3170810-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF Cisen Pharmaceutical Co. Ltd. (CN) 2017-05-24 EP disclosed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP disclosed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP disclosed
US-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES GENFIT (FR) 2011-08-11 US disclosed
EP-1730203-B1 CATALYST COMPOSITION AND USE THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2008-12-31 EP disclosed
US-7423101-B2 Catalyst composition and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-09-09 US disclosed
US-20080071047-A1 Catalyst Composition And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2008-03-20 US disclosed
US-7317057-B2 Catalyst composition and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-01-08 US disclosed
EP-1730203-A1 CATALYST COMPOSITION AND USE THEREOF ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2006-12-13 EP disclosed
WO-2005095469-A1 CATALYST COMPOSITION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-10-13 WO disclosed
US-20050209420-A1 Catalyst composition and use thereof EXXONMOBIL CHEMICAL PATENTS INC. 2005-09-22 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 (3 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-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES PPARD, PPARA, PPARG SQOR 1609/4885KDM4E 3040/4885ALDH1A1 1483/4885
US-20050209420-A1 Catalyst composition and use thereof DGAT1, DGAT2, ALOX5 SQOR 223/4885KDM4E 2093/4885ALDH1A1 2505/4885
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF ME3, SSBP1, MDH2 SQOR 99/4885KDM4E 2492/4885ALDH1A1 2104/4885

“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.