Sugi Predict

Sugi Predict / Compounds / SCHEMBL167654

SCHEMBL167654

SCHEMBL167654

NC(=O)Cc1ccc(Cl)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ CA2 P00918 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ GABRA4 P48169 1/20 0.46
▸ GABRE P78334 1/20 0.46
▸ GABRA6 Q16445 1/20 0.46
▸ GABRG1 Q8N1C3 1/20 0.46
▸ GABRG3 Q99928 1/20 0.46

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
SCHEMBL29457418 1.00 ALDH1A1 (0.53) ALDH1A1CA2NPC1RAB9AEPHX1
SCHEMBL256024 0.82 GABRP (0.61) ALDH1A1CA2NPC1RAB9AGABRP
SCHEMBL30154481 0.82 GABRP (0.61) ALDH1A1CA2NPC1RAB9AGABRP
SCHEMBL29935643 0.81 FFAR1 (0.51) ALDH1A1NPC1RAB9AEPHX1NAPRT
SCHEMBL12764890 0.81 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ANAPRTMEN1
SCHEMBL5012153 0.80 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AEPHX1NAPRT
SCHEMBL18291273 0.78 GABRP (0.72) CA2GABRPGABRDGABRA1GABRB1
SCHEMBL23374479 0.78 CA2 (0.43) CA2GABRPGABRDGABRA1GABRB1
SCHEMBL2713830 0.77 CA2 (0.48) CA2GABRPGABRDGABRA1GABRB1
SCHEMBL20037765 0.77 CA2 (0.48) CA2NPC1RAB9AGABRPGABRD

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 — — US disclosed
US-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 — — US disclosed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 — — EP disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 — — CN disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — US disclosed
US-20210145002-A1 PYRIDINE AND PYRAZINE COMPOUNDS BASF SE (DE) 2021-05-20 — — US disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 — — EP disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 — — US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 — — US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 — — EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 — — US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 — — US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 — — US disclosed
EP-2611771-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-07-10 — — EP disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 — — 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 (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-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 ALDH1A1 231/4885CA2 1798/4885NPC1 3224/4885
US-20210145002-A1 PYRIDINE AND PYRAZINE COMPOUNDS NDUFS5, IL5, NDUFS4 ALDH1A1 231/4885CA2 1798/4885NPC1 3224/4885
US-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 ALDH1A1 4347/4885CA2 3321/4885NPC1 1123/4885
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ALDH1A1 1739/4885CA2 1145/4885NPC1 139/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 ALDH1A1 4347/4885CA2 3321/4885NPC1 1123/4885
US-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA ALDH1A1 4734/4885CA2 1421/4885NPC1 4819/4885

“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.