Sugi Predict

Sugi Predict / Compounds / SCHEMBL3548646

SCHEMBL3548646

SCHEMBL3548646

CCOC(=O)Cc1cc(C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ CA12 O43570 1/20 0.41

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
SCHEMBL14556108 0.85 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2NPC1PKM
SCHEMBL7763579 0.84 CDC7 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL30163570 0.84 MEN1 (0.44) TDP1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL9952026 0.84 MEN1 (0.44) TDP1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL19915712 0.84 MAPT (0.46) TDP1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL15709664 0.84 NOS1 (0.44) TDP1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL31604246 0.84 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL10743108 0.83 ALDH1A1 (0.37) TDP1SMN1; SMN2NPC1PKMRAB9A
SCHEMBL27037928 0.83 NOS3 (0.50) TDP1MEN1KMT2ASMN1; SMN2PKM
SCHEMBL10575459 0.82 L3MBTL1 (0.55) TDP1MEN1KMT2ASMN1; SMN2NPC1

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
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 — — US disclosed
US-20180072672-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-15 — — US disclosed
US-9908852-B2 Bipyridyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2018-03-06 — — US disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
US-9809588-B2 GLS1 inhibitors for treating disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-07 — — US disclosed
US-20170291895-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-10-12 — — US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 — — US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 — — US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 — — WO disclosed
US-20170001960-A1 BIPYRIDYL COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-01-05 — — US disclosed
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-14 — — US disclosed
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 — — US disclosed
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 — — US disclosed
US-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES BOEHRINGER MARKUS 2010-04-08 — — US disclosed
US-7683079-B2 4-aminopiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-23 — — US disclosed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 — — WO disclosed
EP-1831165-A1 4-AMINOPIPERIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-12 — — EP disclosed
WO-2006066747-A1 4-AMINOPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO disclosed
US-20060135561-A1 4-Aminopiperidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-06-22 — — 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 (9 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-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 TDP1 3588/4885MEN1 128/4885KMT2A 3390/4885
US-20170001960-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 TDP1 4251/4885MEN1 2687/4885KMT2A 2180/4885
US-20180072672-A1 BIPYRIDYL COMPOUND CBR1, NR0B2, ERBB2 TDP1 4251/4885MEN1 2687/4885KMT2A 2180/4885
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 TDP1 2403/4885MEN1 1849/4885KMT2A 2651/4885
US-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES DPP4, GPR119, IAPP TDP1 1485/4885MEN1 3888/4885KMT2A 1871/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP TDP1 1485/4885MEN1 3888/4885KMT2A 1871/4885
US-20170291895-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 TDP1 2403/4885MEN1 1849/4885KMT2A 2651/4885
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 TDP1 3588/4885MEN1 128/4885KMT2A 3390/4885
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GIPR, GHSR, GLP1R TDP1 4730/4885MEN1 3070/4885KMT2A 3646/4885

“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.