Sugi Predict

Sugi Predict / Compounds / SCHEMBL97000

SCHEMBL97000

SCHEMBL97000

[CH2]C(=O)N(C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ HTT P42858 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ FAAH O00519 1/20 0.48
▸ PHGDH O43175 1/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ PKM P14618 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL320116 0.80 POLB (0.59) KMT2AHTTPOLBKDM4EFAAH
SCHEMBL17704773 0.80 KMT2A (0.53) KMT2AHTTPOLBKDM4EFAAH
SCHEMBL455438 0.80 KMT2A (0.53) KMT2AHTTPOLBKDM4EFAAH
SCHEMBL9263725 0.79 APP (0.42) KMT2AHTTKDM4ECA12CA1
SCHEMBL6631039 0.79 ALDH1A1 (0.55) KMT2AHTTPOLBLMNAMEN1
SCHEMBL6632095 0.79 HSD17B1 (0.57) KMT2AKDM4ELMNAMEN1SMN1; SMN2
SCHEMBL968480 0.78 KMT2A (0.52) KMT2AHTTPOLBKDM4EFAAH
SCHEMBL208445 0.78 ALDH1A1 (0.54) KMT2AHTTPOLBKDM4EFAAH
SCHEMBL14134499 0.78 POLB (0.57) KMT2AHTTPOLBKDM4EFAAH
SCHEMBL14134390 0.78 POLB (0.57) KMT2AHTTPOLBKDM4EFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 — — US claimed
US-8575363-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-05 — — US claimed
EP-2630139-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-28 — — EP claimed
US-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 — — US claimed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 — — US claimed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 — — US claimed
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 — — US claimed
CN-102459230-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 — — CN claimed
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2012-04-26 — — US claimed
WO-2012054721-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICAL NV (BE) 2012-04-26 — — WO claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 — — EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 — — US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 — — WO claimed
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 — — EP claimed
US-5919824-A Aminophenol derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-07-06 — — US claimed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 — — CN claimed
EP-0255243-B1 AZOLE DERIVATIVES USEFUL FOR CONTROLLING PLANT DISEASES SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1991-05-29 — — EP claimed
EP-0255243-A1 Azole derivatives useful for controlling plant diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1988-02-03 — — EP claimed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 — — US claimed
EP-0077963-A1 2-Nitro-5-(4-trifluoromethyl-phenoxy)-benzyl derivatives, process for their preparation, and their use as herbicides and plant growth regulators BAYER AG (DE) 1983-05-04 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL KMT2A 1314/4885HTT 2884/4885POLB 1898/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL KMT2A 1314/4885HTT 2884/4885POLB 1898/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 KMT2A 4265/4885HTT 241/4885POLB 4607/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 KMT2A 2460/4885HTT 3852/4885POLB 451/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 KMT2A 4298/4885HTT 249/4885POLB 4623/4885

“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.