Sugi Predict

Sugi Predict / Compounds / SCHEMBL4461418

SCHEMBL4461418

SCHEMBL4461418

O=C(O)c1cc(-c2cccs2)nc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.74
▸ ALDH1A1 P00352 7/20 0.74
▸ MEN1 O00255 5/20 0.74
▸ KMT2A Q03164 5/20 0.74
▸ GAA P10253 4/20 0.74
▸ RXFP1 Q9HBX9 5/20 0.71
▸ PPARG P37231 2/20 0.71
▸ PRNP P04156 1/20 0.71
▸ NCOR2 Q9Y618 1/20 0.71
▸ SMN1; SMN2 Q16637 5/20 0.65
▸ HPGD P15428 5/20 0.65
▸ TP53 P04637 3/20 0.65
▸ GLA P06280 3/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ CASP1 P29466 1/20 0.65
▸ CASP7 P55210 1/20 0.65
▸ MAPT P10636 3/20 0.65
▸ LMNA P02545 4/20 0.64
▸ NCOA2 Q15596 1/20 0.64
▸ NCOA1 Q15788 1/20 0.64

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
SCHEMBL30064775 1.00 KDM4E (0.74) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL5190972 0.89 KDM4E (0.74) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL13312183 0.89 MEN1 (0.74) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL23722824 0.85 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL1896825 0.83 MEN1 (0.73) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL1898200 0.83 KMT2A (0.73) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL18746 0.82 KDM4E (0.83) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL29359819 0.82 KDM4E (0.83) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL374556 0.81 KDM4E (0.80) KDM4EALDH1A1MEN1KMT2AGAA
Potassium SCHEMBL93448 0.81 KDM4E (0.80) KDM4EALDH1A1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337640-A1 NOVEL QUINOLINE DERIVATIVES AND USES THEREOF Istituto Europeo di Oncologia S.r.l. (IT) 2024-03-20 — — EP disclosed
WO-2022238863-A1 NOVEL QUINOLINE DERIVATIVES AND USES THEREOF ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2022-11-17 — — WO disclosed
EP-4089077-A1 NOVEL QUINOLINE DERIVATIVES AND USES THEREOF Istituto Europeo di Oncologia S.r.l. (IT) 2022-11-16 — — EP disclosed
US-10711027-B2 DNA polymerase beta inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2020-07-14 — — US disclosed
US-20190202853-A1 DNA POLYMERASE BETA INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2019-07-04 — — US disclosed
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — WO disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 — — US disclosed
US-20060160846-A1 Quinoline derivatives SMITHKLINE BEECHAM FARMAEUTICI S.P.A. 2006-07-20 — — US disclosed
US-20060111357-A1 Quinoline compounds for use in mch receptor related disorders 7TM PHARMA A/S (DK) 2006-05-25 — — US disclosed
EP-1572212-A2 QUINOLINE COMPOUNDS FOR USE IN MCH RECEPTOR RELATED DISORDERS 7TM Pharma A/S (DK) 2005-09-14 — — EP disclosed
CN-1092642-C Use as tachykinin NK3Quinoline derivatives of receptor antagonists SMITHKLINE BEECHAM FARMA (IT) 2002-10-16 — — CN disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 — — WO disclosed
CN-1276211-A Use of non-peptides NK3-antagonist SMITHKINE BEECHEM S P A (IT) 2000-12-13 — — CN disclosed
EP-0940391-A2 Quinoline derivatives as tachykinin NK3 receptor antagonists Smithkline Beecham Farmaceutici S.p.A. (IT) 1999-09-08 — — EP disclosed
EP-0874827-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS Smithkline Becham S.P.A. (IT) 1998-11-04 — — EP disclosed
US-5811553-A TREATMENT OF NEURODEGENERATIVE DISORDERS, PULMONARY DISORDERS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1998-09-22 — — US disclosed
EP-0804419-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK 3 RECEPTOR ANTAGONISTS SmithKline Beecham Farmaceutici S.p.A. (IT) 1997-11-05 — — EP disclosed
CN-1156451-A Use as tachykinin NK3Quinoline derivatives of receptor antagonists SMITHKLINE BEECHAM FARMA (IT) 1997-08-06 — — CN disclosed
WO-1997019927-A1 QUINOLINE DERIVATIVES AS NK3 ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 1997-06-05 — — WO disclosed
WO-1995032948-A1 QUINOLINE DERIVATIVES AS TACHYKININ NK3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM FARMACEUTICI S.P.A. (IT) 1995-12-07 — — 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 (4 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-10711027-B2 DNA polymerase beta inhibitors POLB, POLH, POLN KDM4E 3702/4885ALDH1A1 908/4885MEN1 4060/4885
US-20060111357-A1 Quinoline compounds for use in mch receptor related disorders MCHR2, MCHR1, MC1R KDM4E 1868/4885ALDH1A1 3604/4885MEN1 408/4885
US-20060160846-A1 Quinoline derivatives CHRNA3, CHRNB3, KCNQ3 KDM4E 3752/4885ALDH1A1 1737/4885MEN1 3091/4885
US-20190202853-A1 DNA POLYMERASE BETA INHIBITORS POLB, POLH, POLN KDM4E 3702/4885ALDH1A1 908/4885MEN1 4060/4885

“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.