Sugi Predict

Sugi Predict / Compounds / SCHEMBL4946199

SCHEMBL4946199

SCHEMBL4946199

COc1ccc([N+](=O)[O-])c(C(=O)Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 4/20 0.51
▸ AKR1C2 P52895 4/20 0.51
▸ AKR1B10 O60218 2/20 0.51
▸ AKR1B1 P15121 2/20 0.51
▸ AKR1C4 P17516 2/20 0.51
▸ AKR1C1 Q04828 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ RAF1 P04049 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ PAX8 Q06710 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MERTK Q12866 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL1567614 0.87 NPC1 (0.53) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL12326834 0.85 ALDH1A1 (0.53) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL269614 0.85 AKR1C3 (0.63) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL30580504 0.85 AKR1C3 (0.63) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL268414 0.84 TDP1 (0.62) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
Potassium Ion SCHEMBL15876122 0.84 AKR1C3 (0.51) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL404510 0.84 MAPT (0.51) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL16958207 0.83 AKR1C3 (0.50) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL30686032 0.83 MAPT (0.47) ALDH1A1MAPTMAPK1HPGDLMNA
SCHEMBL28528923 0.83 MAPT (0.47) ALDH1A1MAPTMAPK1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 — — US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 — — EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 — — US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 — — US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 — — WO disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 — — US disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 — — EP disclosed
US-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2002-02-14 — — US disclosed
EP-1129075-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2001-09-05 — — EP disclosed
WO-2000027820-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2000-05-18 — — WO disclosed
US-5883282-A UREA CHEMICAL INTERMEDIATES; RICE AMERICAN CYANAMID COMPANY (US) 1999-03-16 — — US disclosed
US-5763605-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 — — US disclosed
US-5670641-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-09-23 — — US disclosed
US-5654256-A PREEMERGENCE, POSTEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-08-05 — — US disclosed
US-5604180-A RICE CROPS AMERICAN CYANAMID COMPANY 1997-02-18 — — US disclosed
EP-0745595-A1 3-(3-Aryloxyphenyl)-1-(substituted methyl)-s-triazine-2,4,6-oxo or thiotrione herbicidal agents American Cyanamid Company (US) 1996-12-04 — — EP disclosed
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 — — 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 (5 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 AKR1C3 472/4885AKR1C2 1545/4885AKR1B10 2273/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 AKR1C3 700/4885AKR1C2 2003/4885AKR1B10 2944/4885
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 AKR1C3 246/4885AKR1C2 536/4885AKR1B10 769/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 AKR1C3 472/4885AKR1C2 1545/4885AKR1B10 2273/4885
US-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, KDR AKR1C3 1043/4885AKR1C2 1520/4885AKR1B10 1191/4885

“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.