Sugi Predict

Sugi Predict / Compounds / SCHEMBL2102012

SCHEMBL2102012

SCHEMBL2102012

CC(C)Oc1ccc(C(N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 10/20 1.00
▸ KMT2A Q03164 2/20 0.68
▸ PARP4 Q9UKK3 2/20 0.61
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ PARP1 P09874 1/20 0.61
▸ PARP2 Q9UGN5 1/20 0.61
▸ GLA P06280 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ PARP15 Q460N3 2/20 0.59
▸ PARP14 Q460N5 1/20 0.59
▸ PARP16 Q8N5Y8 1/20 0.59
▸ PARP11 Q9NR21 1/20 0.59
▸ POLB P06746 2/20 0.52
▸ SCN5A Q14524 1/20 0.50
▸ SCN2A Q99250 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
Hydrochloric Acid SCHEMBL4963786 0.98 PARP10 (0.96) PARP10KMT2APARP4CA1CA2
SCHEMBL11574352 0.86 PARP10 (0.75) PARP10KMT2APARP4CA1CA2
SCHEMBL28026421 0.84 PARP10 (0.72) PARP10KMT2APARP4CA1CA2
SCHEMBL27867048 0.84 PARP10 (0.72) PARP10KMT2APARP4CA1CA2
SCHEMBL6524872 0.83 PARP10 (0.71) PARP10KMT2APARP4CA1CA2
SCHEMBL2094738 0.83 PARP10 (0.71) PARP10KMT2AGLAALDH1A1POLB
SCHEMBL2517350 0.83 KMT2A (0.73) PARP10KMT2AGLAALDH1A1POLB
SCHEMBL2224707 0.81 PARP10 (0.68) PARP10KMT2AGLAALDH1A1POLB
SCHEMBL503642 0.81 KMT2A (1.00) PARP10KMT2ACA1CA2GLA
SCHEMBL103890 0.81 KMT2A (0.70) PARP10KMT2AGLAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 — — EP claimed
EP-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 — — EP claimed
EP-2480532-B1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS HOFFMANN LA ROCHE (CH) 2013-11-20 — — EP claimed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 — — US claimed
US-8258158-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-09-04 — — US claimed
EP-2480532-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP claimed
EP-2475644-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-07-18 — — EP claimed
WO-2011029808-A1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 — — WO claimed
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2011-03-17 — — US claimed
US-20100179162-A1 Crystal forms of 4-[6-methoxy-7(3-piperidin-1-yl-propoxy) quinazoline-4yl) piperazine-1-carboxylic acid (4-isopropoxyphenyl)-amide MILLENNIUM PHARMACEUTICALS , INC. (US) 2010-07-15 — — US claimed
WO-2007012042-A1 NEW CRYSTAL FORMS OF 4-[6-METHOXY-7-(3-PIPERIDIN-1-YL-PROPOXY)QUINAZOLIN-4-YL]PIPERAZINE-1-CARBOXYLIC ACID(4-ISOPROPOXYPHENYL)-AMIDE MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-25 — — WO claimed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 — — WO claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 — — WO claimed
US-6960580-B2 Nitrogenous heterocyclic substituted quinoline compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-01 — — US claimed
EP-1490362-A2 (HOMO)PIPERAZINE SUBSTITUTED QUINOLINES FOR INHIBITING THE PHOSPHORYLATION OF KINASES Millennium Pharmaceuticals, Inc. (US) 2004-12-29 — — EP claimed
US-20030004158-A1 Nitrogen containing heterocyclic quinoline compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-01-02 — — US claimed
WO-2002072578-A2 (HOMO) PIPERAZINE SUBSTITUTED QUINOLINES FOR INHIBITING THE PHOSPHORYLATION OF KINASES MILLENNIUM PHARMACEUTICALS (US) 2002-09-19 — — WO claimed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 — — WO claimed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 — — EP claimed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 — — 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 (3 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-20100179162-A1 Crystal forms of 4-[6-methoxy-7(3-piperidin-1-yl-propoxy) quinazoline-4yl) piperazine-1-carboxylic acid (4-isopropoxyphenyl)-amide GLS, PDGFRA, REN PARP10 3911/4885KMT2A 2435/4885PARP4 3790/4885
US-20030004158-A1 Nitrogen containing heterocyclic quinoline compounds WNK2, PDGFA, PDGFRA PARP10 977/4885KMT2A 3962/4885PARP4 1179/4885
US-20110065707-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LIPE, PNLIP, LPL PARP10 3086/4885KMT2A 3947/4885PARP4 3023/4885

“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.