Sugi Predict

Sugi Predict / Compounds / SCHEMBL2744690

SCHEMBL2744690

SCHEMBL2744690

NC(=O)c1[c]ccc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.45
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ PIK3CB P42338 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMPD3 Q9NY59 1/20 0.39

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
SCHEMBL2744076 0.95 KDM4E (0.41) KDM4EHTTALDH1A1PIK3CBPOLB
SCHEMBL4965500 0.86 PARP1 (0.46) KDM4EHTTALDH1A1POLBMEN1
SCHEMBL2744801 0.85 PARP1 (0.47) KDM4EHTTALDH1A1POLBMEN1
SCHEMBL3422656 0.83 SORD (0.47) KDM4EHTTALDH1A1MEN1KMT2A
SCHEMBL2792634 0.82 CNR2 (0.36) KDM4EALDH1A1PIK3CBKMT2AGAA
SCHEMBL701826 0.82 HRH3 (0.44) KDM4EHTTALDH1A1IRAK4HSD17B10
SCHEMBL2744970 0.82 PARP1 (0.49) KDM4EHTTALDH1A1HSD17B10
SCHEMBL2792970 0.81 KDM4E (0.38) KDM4EALDH1A1LMNA
SCHEMBL3421759 0.81 CA12 (0.43) KDM4EHTTALDH1A1POLBMEN1
SCHEMBL2744989 0.80 NR3C2 (0.45) PIK3CBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 — — EP claimed
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 — — EP claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 — — US claimed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 — — US claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 — — US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 — — US claimed
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2010-07-29 — — US claimed
US-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors BOLIN DAVID ROBERT 2010-07-01 — — US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 — — US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 — — EP claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 — — EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — WO claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 — — WO claimed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 — — EP claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 — — WO claimed
WO-2007097697-A1 THERAPEUTIC QUINOLINE COMPOUNDS THAT ARE 5HT1B MODULATORS ASTRAZENECA AB (SE) 2007-08-30 — — WO claimed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 — — WO claimed
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. 2007-05-31 — — US claimed
EP-1765815-A2 NEW COMPOUNDS USEFUL FOR TREATING CNS DISORDERS AstraZeneca AB (SE) 2007-03-28 — — EP claimed
WO-2006004507-A2 NEW BENZOTHIAZOLE DERIVATIVES USEFUL FOR TREATING CNS DISORDERS ASTRAZENECA AB (SE) 2006-01-12 — — WO 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 (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-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT KDM4E 2823/4885HTT 4031/4885ALDH1A1 573/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 KDM4E 1039/4885HTT 1246/4885ALDH1A1 1475/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS KDM4E 3580/4885HTT 4181/4885ALDH1A1 614/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT KDM4E 2823/4885HTT 4031/4885ALDH1A1 573/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT KDM4E 2823/4885HTT 4031/4885ALDH1A1 573/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO KDM4E 1129/4885HTT 2560/4885ALDH1A1 2214/4885

“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.