Sugi Predict

Sugi Predict / Compounds / SCHEMBL2199841

SCHEMBL2199841

SCHEMBL2199841

O/N=C(\Cl)c1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ LMNA P02545 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 3/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GABRA1 P14867 4/20 0.43
▸ GABRG2 P18507 4/20 0.43
▸ GABRB3 P28472 4/20 0.43
▸ GABRB1 P18505 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HPGD P15428 3/20 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
SCHEMBL30479502 1.00 MEN1 (0.62) MEN1KMT2ALMNAUSP2ALOX15
SCHEMBL2199843 1.00 MEN1 (0.62) MEN1KMT2ALMNAUSP2ALOX15
SCHEMBL17434723 1.00 MEN1 (0.62) MEN1KMT2ALMNAUSP2ALOX15
Acetic Acid SCHEMBL9470199 0.89 MEN1 (0.61) MEN1KMT2ALMNAUSP2ALOX15
Acetic Acid SCHEMBL9470236 0.89 MEN1 (0.61) MEN1KMT2ALMNAUSP2ALOX15
SCHEMBL2446370 0.83 KMT2A (0.48) MEN1KMT2ALMNAUSP2ALOX15
SCHEMBL18502956 0.83 KMT2A (0.48) MEN1KMT2ALMNAUSP2ALOX15
SCHEMBL2446369 0.83 KMT2A (0.48) MEN1KMT2ALMNAUSP2ALOX15
SCHEMBL23064419 0.83 TP53 (0.52) MEN1KMT2ALMNAUSP2ALOX15
SCHEMBL8639894 0.79 KMT2A (0.48) MEN1KMT2ALMNAUSP2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020249064-A1 COMPOUNDS FOR MODULATING FXR NANJING RUIJIE PHARMA CO., LTD. (CN) 2020-12-17 — — WO disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 — — US disclosed
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 — — US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 — — US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 — — US disclosed
WO-2014142307-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF 公益財団法人相模中央化学研究所 (JP) 2014-09-18 — — WO disclosed
WO-2013011010-A1 FUNGIZIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-24 — — WO disclosed
WO-2013007550-A1 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-17 — — WO disclosed
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS SYNGENTA CROP PROTECTION LLC (US) 2011-10-13 — — US disclosed
EP-2369933-A2 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2011-10-05 — — EP disclosed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 — — US disclosed
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2008-07-10 — — US disclosed
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 — — US disclosed
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 — — US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 — — US disclosed
US-7338967-B2 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2008-03-04 — — US disclosed
EP-1794167-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES Syngenta Limited (GB) 2007-06-13 — — EP disclosed
US-20060073971-A1 Substituted isoxazoles as fungicides SYNGENTA LIMITED (GB) 2006-04-06 — — US disclosed
WO-2006031631-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES SYNGENTA LIMITED (GB) 2006-03-23 — — WO disclosed
US-5378702-A Thiadizinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 — — 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 (7 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-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC MEN1 448/4885KMT2A 4043/4885LMNA 2384/4885
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 MEN1 3576/4885KMT2A 880/4885LMNA 4169/4885
US-20080167350-A1 SUBSTITUTED ISOXAZOLES AS FUNGICIDES CYP4X1, CYP51A1, CYP3A7 MEN1 2071/4885KMT2A 1773/4885LMNA 3242/4885
US-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 MEN1 2030/4885KMT2A 1843/4885LMNA 3361/4885
US-20110251066-A1 ISOXAZOLE DERIVATIVES FOR USE AS PLANT GROWTH REGULATORS CYP4Z1, CYP4X1, AGXT MEN1 4672/4885KMT2A 2797/4885LMNA 4574/4885
US-20060073971-A1 Substituted isoxazoles as fungicides CYP4X1, CYP51A1, CYP3A7 MEN1 2503/4885KMT2A 1903/4885LMNA 2740/4885
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 MEN1 3940/4885KMT2A 3485/4885LMNA 2521/4885

“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.