Sugi Predict

Sugi Predict / Compounds / SCHEMBL5156191

SCHEMBL5156191

SCHEMBL5156191

O=C(O)c1cc(Br)cc2[nH]cnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.47
▸ PARP1 P09874 1/20 0.42
▸ ACLY P53396 1/20 0.42
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ AKR1C1 Q04828 2/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PRNP P04156 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ IP6K1 Q92551 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.38
▸ PNP P00491 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37

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
SCHEMBL22470597 0.81 NR4A2 (0.44) PARP1MEN1ALDH1A1PRNPMAPT
SCHEMBL29397449 0.81 NR4A2 (0.44) PARP1MEN1ALDH1A1PRNPMAPT
SCHEMBL11664269 0.81 PARP1 (0.44) PARP1ACLYALDH1A1HPGDHTT
SCHEMBL3560479 0.79 ACLY (0.48) DHODHPARP1ACLY
SCHEMBL29893882 0.79 ACLY (0.61) DHODHPARP1ACLYHTTSMN1; SMN2
SCHEMBL23395023 0.79 DHODH (0.47) DHODHPARP1ACLYIP6K1
SCHEMBL15093624 0.79 ACLY (0.61) DHODHPARP1ACLYHTTSMN1; SMN2
SCHEMBL15094141 0.76 RXFP1 (0.44) PARP1ACLYMEN1ALDH1A1MAPT
SCHEMBL22443321 0.76 MMP12 (0.45) DHODHPARP1ACLYMEN1ALDH1A1
SCHEMBL30267360 0.75 DYRK1A (0.40) DHODHALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117106189-A Metal organic framework artificial hydrolase and preparation method and application thereof 华南理工大学 2023-11-24 — — CN claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US claimed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
CN-117106189-A Metal organic framework artificial hydrolase and preparation method and application thereof 华南理工大学 2023-11-24 — — CN disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
US-20230227411-A1 Benzimidazole Derivatives HOFFMANN-LA ROCHE INC. (US) 2023-07-20 — — US disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 — — US disclosed
EP-4136078-A1 BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-02-22 — — EP disclosed
CN-115443268-A Benzimidazole derivatives 豪夫迈·罗氏有限公司 2022-12-06 — — CN disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 — — US disclosed
EP-3340982-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 — — EP disclosed
WO-2017035408-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — WO disclosed
WO-2013096151-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-27 — — WO disclosed
US-7504513-B2 Thiazolyl-benzimidazoles HOFFMAN-LA ROCHE INC. (US) 2009-03-17 — — US disclosed
US-7504513-B2 Thiazolyl-benzimidazoles HOFFMAN-LA ROCHE INC. (US) 2009-03-17 — — US disclosed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 — — US disclosed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 — — US disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 — — US 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 (7 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-20070203210-A1 Thiazolyl-benzimidazoles CYP3A7, CYP2C19, CYP3A5 DHODH 327/4885PARP1 4260/4885ACLY 2362/4885
US-20230227411-A1 Benzimidazole Derivatives CCNI, CCNB3, CYP3A43 DHODH 1351/4885PARP1 923/4885ACLY 2124/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 DHODH 3826/4885PARP1 230/4885ACLY 3401/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 DHODH 3826/4885PARP1 230/4885ACLY 3401/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R DHODH 3439/4885PARP1 1218/4885ACLY 570/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH DHODH 711/4885PARP1 4046/4885ACLY 4265/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 DHODH 3826/4885PARP1 230/4885ACLY 3401/4885

“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.