Sugi Predict

Sugi Predict / Compounds / SCHEMBL6358316

SCHEMBL6358316

SCHEMBL6358316

CCCNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.69
▸ POLB P06746 1/20 0.69
▸ KMT2A Q03164 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ HTT P42858 1/20 0.63
▸ MCHR1 Q99705 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ MLYCD O95822 2/20 0.56
▸ LSS P48449 1/20 0.54
▸ EPHX2 P34913 1/20 0.54
▸ TMEM97 Q5BJF2 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ TRPA1 O75762 2/20 0.52
▸ CES2 O00748 1/20 0.52
▸ CES1 P23141 1/20 0.52
▸ CD274 Q9NZQ7 1/20 0.51

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
SCHEMBL6359328 0.90 MLYCD (0.66) ALDH1A1POLBKMT2AMEN1HTT
SCHEMBL13577932 0.88 MLYCD (0.73) ALDH1A1POLBKMT2AMEN1HTT
SCHEMBL28929298 0.87 MLYCD (0.76) ALDH1A1POLBKMT2AMEN1MCHR1
SCHEMBL13918749 0.87 KDM4E (0.70) ALDH1A1POLBKMT2AKDM4EMLYCD
SCHEMBL10264321 0.85 LSS (0.56) ALDH1A1POLBKMT2AMEN1MCHR1
SCHEMBL10076734 0.84 RAB9A (0.56) ALDH1A1POLBKMT2AMEN1MCHR1
SCHEMBL13753102 0.84 ALDH1A1 (0.72) ALDH1A1POLBKMT2AMEN1HTT
SCHEMBL2747870 0.84 HDAC4 (0.59) ALDH1A1POLBMCHR1MLYCDLSS
SCHEMBL12647434 0.84 ALDH1A1 (0.52) ALDH1A1POLBKMT2AMEN1HTT
SCHEMBL14615882 0.84 RAB9A (0.68) ALDH1A1POLBKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110294772-B 2-alkyl silicon-benzamide compound and synthesis method thereof 五邑大学 2021-12-28 — — CN disclosed
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-05-02 — — US disclosed
US-10179175-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-01-15 — — US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 — — US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 — — US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 — — US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 — — US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 — — US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — US disclosed
EP-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 — — EP disclosed
EP-0523067-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-20 — — EP disclosed
EP-0511993-A1 HERBICIDAL SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-11 — — EP disclosed
WO-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 — — WO disclosed
EP-0463054-A1 SELECTIVE OXABICYCLOALKANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-01-02 — — EP disclosed
WO-1991010653-A1 HERBICIDAL PYRIMIDINES AND TRIAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 — — WO disclosed
WO-1991010668-A1 HERBICIDAL SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 — — WO disclosed
WO-1990010634-A1 SELECTIVE OXABICYCLOALKANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-20 — — 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-10179175-B2 Isatoic anhydride derivatives and applications thereof AASDHPPT, CA13, CA12 ALDH1A1 679/4885POLB 3431/4885KMT2A 1099/4885
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 ALDH1A1 1477/4885POLB 4046/4885KMT2A 2755/4885
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 ALDH1A1 679/4885POLB 3431/4885KMT2A 1099/4885
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 ALDH1A1 679/4885POLB 3431/4885KMT2A 1099/4885
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 ALDH1A1 679/4885POLB 3431/4885KMT2A 1099/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 ALDH1A1 1477/4885POLB 4046/4885KMT2A 2755/4885

“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.