Sugi Predict

Sugi Predict / Compounds / SCHEMBL751610

SCHEMBL751610

SCHEMBL751610

CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ ADRB2 P07550 1/20 0.57
▸ ADRB1 P08588 1/20 0.57
▸ ADRB3 P13945 1/20 0.57
▸ MEN1 O00255 2/20 0.55
▸ MAPK1 P28482 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ MAPT P10636 5/20 0.53
▸ PKM P14618 2/20 0.53
▸ POLB P06746 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MCL1 Q07820 1/20 0.48

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
SCHEMBL6759109 0.88 GAA (0.56) NR1H4KMT2AMEN1MAPK1GAA
SCHEMBL27731315 0.87 NR1H4 (0.58) NR1H4KMT2ATDP1ADRB2ADRB1
SCHEMBL16423530 0.84 ALDH1A1 (0.51) NR1H4KMT2ATDP1ADRB2ADRB1
SCHEMBL222270 0.83 TDP1 (0.67) NR1H4KMT2ATDP1ADRB2ADRB1
SCHEMBL3758268 0.82 ALDH1A1 (0.44) NR1H4KMT2ATDP1ADRB2ADRB1
SCHEMBL31560140 0.82 ALDH1A1 (0.44) NR1H4KMT2ATDP1ADRB2ADRB1
SCHEMBL4033460 0.82 NR3C2 (0.43) NR1H4KMT2ATDP1ADRB2ADRB1
SCHEMBL27615289 0.81 KMT2A (0.51) NR1H4KMT2ATDP1ADRB2ADRB1
SCHEMBL1100320 0.81 HTT (0.53) KMT2ATDP1MEN1GAAHTT
SCHEMBL31560113 0.81 HTT (0.53) KMT2ATDP1MEN1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12595255-B2 Heteroaryl-substituted imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2026-04-07 — — US disclosed
US-12421211-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2025-09-23 — — US disclosed
CN-115066417-B Factor XIa inhibitors 上海京新生物医药有限公司 2025-05-02 — — CN disclosed
US-20240368117-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-07 — — US disclosed
EP-4211116-B1 NOVEL HETEROCYCLIC ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2024-08-07 — — EP disclosed
CN-118119609-A Imidazole derivatives and their use as antibiotics 豪夫迈·罗氏有限公司 2024-05-31 — — CN disclosed
EP-4370514-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIBIOTICS F. Hoffmann-La Roche AG (CH) 2024-05-22 — — EP disclosed
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 — — US disclosed
EP-4288424-A1 NOVEL HETEROARYL-SUBSTITUTED IMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-12-13 — — EP disclosed
US-20230373978-A1 HETEROARYL-SUBSTITUTED IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-23 — — US disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 — — US disclosed
EP-1080070-B1 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LAB (US) 2006-11-22 — — EP disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 — — US disclosed
US-6849757-B2 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBOTT LABORATORIES (US) 2005-02-01 — — US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 — — EP disclosed
US-20040110959-A1 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBVIE INC. 2004-06-10 — — US disclosed
US-6632961-B1 Pharmaceutically acceptable salts or prodrugs thereof, are useful for treating pathological states which arise from or are exacerbated by angiogenesis. The invention also relates to pharmaceutical compositions comprising these compounds and to ABBOTT LABORATORIES 2003-10-14 — — US disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 — — WO disclosed
EP-1080070-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 2001-03-07 — — EP disclosed
WO-1999061406-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 1999-12-02 — — 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 (8 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 NR1H4 433/4885KMT2A 3762/4885TDP1 3036/4885
US-12421211-B2 Heterocyclic compounds F12, C1R, MRPL21 NR1H4 433/4885KMT2A 3762/4885TDP1 3036/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 NR1H4 3193/4885KMT2A 1693/4885TDP1 2237/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 NR1H4 2587/4885KMT2A 1786/4885TDP1 2562/4885
US-20240368117-A1 HETEROCYCLIC COMPOUNDS F12, C1R, MRPL21 NR1H4 433/4885KMT2A 3762/4885TDP1 3036/4885
US-20040110959-A1 Antiangiogenic drug to treat cancer, arthritis and retinopathy FLT1, VEGFA, KDR NR1H4 1549/4885KMT2A 4285/4885TDP1 1007/4885
US-20230373978-A1 HETEROARYL-SUBSTITUTED IMIDAZOLE DERIVATIVES F3, ABL1, CFTR NR1H4 246/4885KMT2A 1832/4885TDP1 3378/4885
US-12595255-B2 Heteroaryl-substituted imidazole derivatives CLIC1, CYP2B6, CYP2D6 NR1H4 370/4885KMT2A 3393/4885TDP1 2173/4885

“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.