Sugi Predict

Sugi Predict / Compounds / SCHEMBL235433

SCHEMBL235433

SCHEMBL235433

CNC(=O)c1c[c]c(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HPGD P15428 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PLK1 P53350 7/20 0.44
▸ CA2 P00918 1/20 0.42
▸ MMP13 P45452 1/20 0.41
▸ PLAU P00749 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ BRDT Q58F21 1/20 0.36

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
SCHEMBL27624234 0.80 HDAC8 (0.52) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL6189587 0.78 HDAC8 (0.50) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL28030580 0.78 HDAC8 (0.50) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL1206442 0.78 MAPT (0.40) HPGDHTTSMN1; SMN2NPC1ALDH1A1
SCHEMBL192555 0.77 CA1 (0.48) HPGDTSHRHTTSMN1; SMN2CA2
SCHEMBL12615099 0.77 HDAC8 (0.48) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL1205076 0.75 TSHR (0.50) TSHRSMN1; SMN2CA2ALDH1A1
SCHEMBL11203426 0.75 NPC1 (0.55) HTTSMN1; SMN2NPC1
SCHEMBL745459 0.74 PLK1 (0.55) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL96927 0.74 PARP1 (0.41) TSHRSMN1; SMN2CA2MKNK1MKNK2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 — — WO disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 — — EP disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 — — US disclosed
EP-3239137-A1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 — — EP disclosed
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 — — US disclosed
EP-2121660-B1 FUNGICIDAL AMIDES DU PONT (US) 2014-12-31 — — EP disclosed
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 — — US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 — — EP disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 — — US disclosed
US-8420673-B2 Fungicidal amides E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-16 — — US disclosed
US-8349870-B2 Fungicidal hetercyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 — — US disclosed
EP-2402332-A2 Fungicidal heterocyclic compounds E.I. Du Pont De Nemours And Company (US) 2012-01-04 — — EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 — — US disclosed
US-20100292275-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-18 — — US disclosed
US-20100286147-A1 FUNGICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-11-11 — — US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 — — US disclosed
US-20100004288-A1 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-07 — — US disclosed
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 — — EP disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 — — 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 (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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 HDAC8 453/4885HDAC6 123/4885HDAC2 60/4885
US-20100286147-A1 FUNGICIDAL AMIDES NAT1, NOX1, CBR1 HDAC8 752/4885HDAC6 450/4885HDAC2 449/4885
US-20100292275-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CBR1, NOX1 HDAC8 1406/4885HDAC6 382/4885HDAC2 524/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 HDAC8 2187/4885HDAC6 1630/4885HDAC2 1340/4885
US-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 HDAC8 1020/4885HDAC6 191/4885HDAC2 456/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 HDAC8 812/4885HDAC6 892/4885HDAC2 444/4885

“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.