Sugi Predict

Sugi Predict / Compounds / SCHEMBL1786567

SCHEMBL1786567

SCHEMBL1786567

N#CCC(=O)c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.49
▸ GLA P06280 1/20 0.49
▸ GSK3B P49841 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MGAM O43451 1/20 0.43
▸ AMY1A P0DUB6 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43

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
Acetonitrile SCHEMBL17008407 0.95 PARP1 (0.47) PARP1ALDH1A1GLAGSK3BL3MBTL1
SCHEMBL397191 0.87 GSK3B (0.50) GSK3BL3MBTL1KCNH2HPGDMEN1
SCHEMBL2796112 0.83 PARP1 (0.49) PARP1ALDH1A1GLAGSK3BL3MBTL1
SCHEMBL22489723 0.80 PARP1 (0.46) PARP1ALDH1A1GLAGSK3BL3MBTL1
SCHEMBL29547149 0.80 CA12 (0.47) GSK3BHPGDKMT2ACYP1A2
SCHEMBL28241079 0.80 CA12 (0.47) GSK3BHPGDKMT2ACYP1A2
SCHEMBL11769075 0.80 CA12 (0.52) PARP1ALDH1A1GSK3BNPC1RAB9A
SCHEMBL4633370 0.79 BCL2 (0.44) GSK3BKCNH2CTSB
SCHEMBL30758864 0.79 PARP1 (0.61) PARP1ALDH1A1GLAL3MBTL1TP53
SCHEMBL135970 0.79 PARP1 (0.52) PARP1GSK3BKCNH2CTSLHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192171-A Small molecule compounds and their use in vitro expansion of hematopoietic stem cells and/or progenitor cells 上海交通大学医学院 2024-12-27 — — CN disclosed
CN-118812500-A Substituted aryl diketone nitrile compound with herbicidal activity, preparation method and application 东北农业大学 2024-10-22 — — CN disclosed
EP-4417607-A1 HETEROCYCLIC COMPOUND AS SOS1 INHIBITOR AND USES THEREOF Nanjing Zaiming Pharmaceutical Co., Ltd. (CN) 2024-08-21 — — EP disclosed
CN-112543764-B Amide compound with BET proteolytic induction effect and medical application thereof 田边三菱制药株式会社 2024-05-10 — — CN disclosed
CN-117957226-A Heterocyclic compounds as SOS1 inhibitors and uses thereof 南京再明医药有限公司 2024-04-30 — — CN disclosed
CN-113149983-B Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2024-03-29 — — CN disclosed
US-20230348386-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-11-02 — — US disclosed
US-20230348386-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-11-02 — — US disclosed
US-20230348386-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-11-02 — — US disclosed
EP-4234552-A2 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics, Inc. (US) 2023-08-30 — — EP disclosed
CN-1376147-A Pyrazole derivatives HOFFMANN LA ROCHE (CH) 2002-10-23 — — CN disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 — — US disclosed
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-08-01 — — US disclosed
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 — — EP disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 — — US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 — — US disclosed
CN-1300282-A Pyrazole derivatives as P-38 MAP kinase inhibitors HOFFMANN LA ROCHE (CH) 2001-06-20 — — CN disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 — — WO disclosed
EP-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 — — EP disclosed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 — — 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 (2 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-20230348386-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF PHGDH, G6PD, PGD PARP1 582/4885ALDH1A1 222/4885GLA 179/4885
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors MAPK1, MAPK8, MAPKAPK2 PARP1 1111/4885ALDH1A1 1667/4885GLA 4331/4885

“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.