Sugi Predict

Sugi Predict / Compounds / SCHEMBL1716280

SCHEMBL1716280

SCHEMBL1716280

Cn1nc(-c2ccc(Cl)cc2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ ESRRA P11474 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL8892611 0.83 ESRRA (0.53) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL17291033 0.83 SMN1; SMN2 (0.42) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL17290616 0.81 MAPT (0.47) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL8590801 0.81 NPC1 (0.45) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL16667664 0.81 CYP11B1 (0.50) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL14694258 0.81 MAPT (0.49) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL16664764 0.81 IDO1 (0.44) MAPTNPC1RAB9A
SCHEMBL17295620 0.81 IDO1 (0.44) MAPTNPC1RAB9A
SCHEMBL3459458 0.80 ERN1 (0.42) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL5317887 0.79 CYP11B1 (0.39) MAPTALDH1A1HPGDLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674027-B 13C-marked pyraoxystrobin and synthetic method thereof 河南衡谱分析检测技术有限公司 2020-03-27 — — CN claimed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 — — US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
EP-3059235-B1 TETRAZOLINONE DERIVATIVES AND THEIR USE FOR CONTROLLING PESTS SUMITOMO CHEMICAL CO (JP) 2020-10-28 — — EP disclosed
CN-107674027-B 13C-marked pyraoxystrobin and synthetic method thereof 河南衡谱分析检测技术有限公司 2020-03-27 — — CN disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 — — WO disclosed
CN-105777640-B Pyrazole cyclohexanediol ether compound and application thereof 沈阳中化农药化工研发有限公司 2020-01-07 — — CN disclosed
US-10085450-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-10-02 — — US disclosed
US-20160270399-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 — — US disclosed
US-20080275070-A1 Aryl Ether Compounds and Their Preparation and Use Thereof SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY (CN) 2008-11-06 — — US disclosed
US-20080275070-A1 Aryl Ether Compounds and Their Preparation and Use Thereof SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY (CN) 2008-11-06 — — US disclosed
CN-100427481-C An arylether kind compound and its preparation and application SHENYANG INST OF CHEMICAL INDU (CN) 2008-10-22 — — CN disclosed
US-20080108668-A1 Substituted azole compounds and its preparation and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2008-05-08 — — US disclosed
EP-1884511-A1 AROMATIC ETHER COMPOUNDS,PREPARATION AND USAGE THEREOF Shenyang Research Institute of Chemical Industry (CN) 2008-02-06 — — EP disclosed
CN-101119972-A Aryl ether compound and preparation and application thereof CHINA ZHONGHUA GROUP (CN) 2008-02-06 — — CN disclosed
CN-1305858-C Substituted azole compounds and their preparation and application SHENYANG INST OF CHEMICAL INDU (CN) 2007-03-21 — — CN disclosed
CN-1869034-A An arylether kind compound and its preparation and application SHENYANG INST OF CHEMICAL INDU (CN) 2006-11-29 — — CN disclosed
EP-1717231-A1 SUBSTITUTED AZOLE COMPOUNDS AND THEREOF PREPARATION AND APPLICATION Shenyang Research Institute of Chemical Industry (CN) 2006-11-02 — — EP disclosed
CN-1657524-A Substituted azole compounds and their preparation and application SHENYANG INST OF CHEMICAL INDU (CN) 2005-08-24 — — CN 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-10085450-B2 Tetrazolinone compound and use thereof ROS1, TCOF1, RPS20 MAPT 3692/4885POLB 4132/4885NPC1 2932/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 MAPT 1431/4885POLB 1121/4885NPC1 51/4885
US-20080108668-A1 Substituted azole compounds and its preparation and use thereof DDT, CRY1, WAPL MAPT 335/4885POLB 4851/4885NPC1 3232/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT MAPT 315/4885POLB 1592/4885NPC1 7/4885
US-20160270399-A1 TETRAZOLINONE COMPOUND AND USE THEREOF ROS1, TCOF1, RPS20 MAPT 3692/4885POLB 4132/4885NPC1 2932/4885
US-20080275070-A1 Aryl Ether Compounds and Their Preparation and Use Thereof DDT, TYR, AHR MAPT 2695/4885POLB 4705/4885NPC1 879/4885

“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.