Sugi Predict

Sugi Predict / Compounds / SCHEMBL186007

SCHEMBL186007

SCHEMBL186007

CNc1ncc(C(=O)O)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 7/20 0.57
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ P4HA1 P13674 2/20 0.45
▸ P4HTM Q9NXG6 2/20 0.45
▸ HCAR2 Q8TDS4 3/20 0.44
▸ MIF P14174 1/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42

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
SCHEMBL16771926 0.84 BAZ2B (0.47) HCAR3GRM5NNMTHPGDBAZ2B
SCHEMBL10588749 0.82 HCAR3 (0.42) HCAR3ALDH1A1KDM4EGRM5NNMT
SCHEMBL4764392 0.80 NNMT (0.58) HCAR3KDM4ENNMTL3MBTL1
SCHEMBL10589068 0.78 MAPK1 (0.40) HCAR3ALDH1A1KDM4EGRM5NNMT
SCHEMBL186359 0.77 HCAR3 (0.61) HCAR3ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL21540587 0.77 VNN1 (0.49) HCAR3ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL200700 0.77 HCAR3 (0.61) HCAR3ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL10588648 0.75 GSK3B (0.42) HCAR3GRM5NNMT
SCHEMBL14799076 0.75 P4HTM (0.46) HCAR3ALDH1A1KDM4EHSD17B10ALOX15
SCHEMBL4886683 0.75 ALDH1A1 (0.58) HCAR3ALDH1A1KDM4EHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735830-B Hydroxamic acid derivative and application thereof 成都自豪药业有限公司 2024-08-20 — — CN disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 — — US disclosed
CN-109796414-A A method of continuously preparing Rosuvastatin intermediate using microchannel module reaction unit 中国药科大学 2019-05-24 — — CN disclosed
WO-2018149419-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2018-08-23 — — WO disclosed
EP-2797885-B1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-08-10 — — EP disclosed
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 — — CN disclosed
US-8530461-B2 Azetidine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-10 — — US disclosed
US-20130172312-A1 Azetidine Derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — US disclosed
WO-2013098373-A1 NEW AZETIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — WO disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — WO disclosed
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 — — EP disclosed
US-6972297-B2 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2005-12-06 — — US disclosed
CN-1210267-C 2-hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM PLC (GB) 2005-07-13 — — CN disclosed
CN-1427827-A 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM PLC (GB) 2003-07-02 — — CN disclosed
US-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-19 — — US disclosed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 — — EP disclosed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 — — WO disclosed
EP-0325131-A2 Pyrimidine derivatives as performance stimulating agents BAYER AG (DE) 1989-07-26 — — EP 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 (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-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use MSH6, MSH2, PMS2 HCAR3 940/4885ALDH1A1 1967/4885KDM4E 1084/4885
US-20130172312-A1 Azetidine Derivatives GPR119, LIPE, LPL HCAR3 2376/4885ALDH1A1 1082/4885KDM4E 1022/4885
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 HCAR3 128/4885ALDH1A1 3170/4885KDM4E 3409/4885
US-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 HCAR3 302/4885ALDH1A1 1000/4885KDM4E 4133/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 HCAR3 302/4885ALDH1A1 1000/4885KDM4E 4133/4885

“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.