Sugi Predict

Sugi Predict / Compounds / SCHEMBL99723

SCHEMBL99723

SCHEMBL99723

O=Cc1ccc([N+](=O)[O-])c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH5A1 P51649 1/20 0.58
▸ ABAT P80404 1/20 0.58
▸ VCAM1 P19320 1/20 0.58
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ ALDH3A1 P30838 3/20 0.49
▸ ALDH1A3 P47895 3/20 0.49
▸ XDH P47989 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ TTR P02766 1/20 0.43
▸ AAK1 Q2M2I8 1/20 0.43
▸ ERN1 O75460 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ VCP P55072 1/20 0.41
▸ HPGD P15428 1/20 0.40

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
SCHEMBL100105 0.85 ALDH5A1 (0.62) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL16956776 0.83 CYP19A1 (0.43) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL16953771 0.83 ALDH5A1 (0.43) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL31484716 0.82 ALDH5A1 (0.69) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL1466944 0.82 ALDH5A1 (0.69) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL7622086 0.79 ALDH5A1 (0.56) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL16838212 0.78 ALDH5A1 (0.59) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL31423770 0.77 TDP1 (0.60) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL31168304 0.77 XDH (0.53) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL29687930 0.77 ALDH5A1 (0.73) ALDH5A1ABATVCAM1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12403198-B2 Benzimidazole thiophene derivative compounds inducing selective degradation of PLK1 UPPTHERA (KR) 2025-09-02 — — US disclosed
EP-4419525-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2025-07-23 — — EP disclosed
US-20250230165-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2025-07-17 — — US disclosed
EP-4419525-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2024-08-28 — — EP disclosed
CN-118556059-A Heterocyclic compounds for the treatment of cancer 阿提奥斯医药有限公司 2024-08-27 — — CN disclosed
CN-116903469-A Synthesis method of 4-nitrobenzophenone compound 台州学院 2023-10-20 — — CN disclosed
US-20230159515-A1 BENZIMIDAZOLE THIOPHENE DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 UPPTHERA (KR) 2023-05-25 — — US disclosed
US-20230159515-A1 BENZIMIDAZOLE THIOPHENE DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 UPPTHERA (KR) 2023-05-25 — — US disclosed
WO-2023067353-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 — — WO disclosed
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 — — US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 — — US disclosed
US-20070172420-A1 Ligands ASTRAZENECA AB (SE) 2007-07-26 — — US disclosed
US-20070172420-A1 Ligands ASTRAZENECA AB (SE) 2007-07-26 — — US disclosed
US-20070172420-A1 Ligands ASTRAZENECA AB (SE) 2007-07-26 — — US disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — WO disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 — — WO disclosed
CN-1856497-A Ligands ASTRAZENECA AB (SE) 2006-11-01 — — CN disclosed
EP-1668016-A1 LIGANDS AstraZeneca AB (SE) 2006-06-14 — — EP disclosed
WO-2005030778-A1 LIGANDS ASTRAZENECA AB (SE) 2005-04-07 — — WO disclosed
WO-2005030778-A1 LIGANDS ASTRAZENECA AB (SE) 2005-04-07 — — 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 (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-20070270437-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 ALDH5A1 304/4885ABAT 100/4885VCAM1 4747/4885
US-20230159515-A1 BENZIMIDAZOLE THIOPHENE DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 PLK1, BUB1, BUB1B ALDH5A1 1885/4885ABAT 2209/4885VCAM1 3753/4885
US-10035777-B2 Heterocyclic kinase inhibitors AAK1, NCK1, DAPK2 ALDH5A1 4364/4885ABAT 2269/4885VCAM1 2635/4885
US-12403198-B2 Benzimidazole thiophene derivative compounds inducing selective degradation of PLK1 PLK1, BUB1, BUB1B ALDH5A1 1885/4885ABAT 2209/4885VCAM1 3753/4885
US-20250230165-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NQO1, VHL, SDHA ALDH5A1 215/4885ABAT 725/4885VCAM1 4024/4885
US-20070172420-A1 Ligands ADRA1A, GPR119, ADRB1 ALDH5A1 1553/4885ABAT 3320/4885VCAM1 1274/4885

“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.