SCHEMBL2033346

SCHEMBL2033346

O=C(O)Cc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.69
ALDH1A1 P00352 6/20 0.47
HIF1A Q16665 1/20 0.47
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
AMY1A P0DUB6 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 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
SCHEMBL2889685 1.00 CYP1A2 (0.69) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL28778368 0.89 MAPK1 (0.58) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL15819946 0.87 CYP1A2 (0.64) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL1578785 0.87 CYP1A2 (0.64) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL6037267 0.86 CYP1A2 (0.73) CYP1A2ALDH1A1MAPTLMNAAMY1A
Hydrochloric Acid SCHEMBL14247410 0.85 CYP1A2 (0.62) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL6292292 0.84 CYP1A2 (0.75) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3661590 0.83 CYP1A2 (0.51) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL6597479 0.81 CYP1A2 (0.47) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL20731895 0.81 CYP1A2 (0.47) CYP1A2ALDH1A1HIF1AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113248471-B Preparation method of zolamide drug intermediate and intermediate thereof 南京桦冠生物技术有限公司 2021-09-21 CN claimed
CN-113248471-A Preparation method of zolamide drug intermediate and intermediate thereof 南京桦冠生物技术有限公司 2021-08-13 CN claimed
US-12187684-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2025-01-07 US disclosed
CN-116023321-B STING inhibitor prodrug and medical application thereof 中国药科大学 2024-11-29 CN disclosed
WO-2024141128-A4 STING INHIBITOR PRODRUG AND MEDICAL USE THEREOF 中国药科大学 2024-09-19 WO disclosed
CN-114436955-B Tetrahydroquinoline and benzomorpholine derivatives or salts thereof, and preparation method and application thereof 复旦大学 2024-08-09 CN disclosed
WO-2024141128-A2 STING INHIBITOR PRODRUG AND MEDICAL USE THEREOF 中国药科大学 2024-07-04 WO disclosed
WO-2024125629-A1 UREIC COMPOUND AND PHARMACEUTICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2024-06-20 WO disclosed
WO-2024067560-A1 SULFONAMIDE COMPOUND AND MEDICAL USE THEREOF 中国药科大学 2024-04-04 WO disclosed
CN-117756698-A Urea compound and medical application thereof as STING inhibitor 中国药科大学 2024-03-26 CN disclosed
CN-117682973-A Sulfonamide compound and medical application thereof 中国药科大学 2024-03-12 CN disclosed
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP disclosed
US-6770648-B2 ANTIDIABETIC AGENTS TULARIK INC. 2004-08-03 US disclosed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
US-20030139390-A1 Compounds for the modulation of PPARgamma activity TULARIK INC. 2003-07-24 US disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 WO disclosed
CN-1368961-A Compounds that modulate PPAR γ activity TULARIK INC (US) 2002-09-11 CN disclosed
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 EP disclosed
WO-2001000579-A1 COMPOUNDS FOR THE MODULATION OF PPARη ACTIVITY TULARIK INC. (US) 2001-01-04 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 (3 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-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD CYP1A2 910/4885ALDH1A1 1831/4885HIF1A 2857/4885
US-12187684-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical use thereof RORC, RORB, RORA CYP1A2 295/4885ALDH1A1 244/4885HIF1A 1879/4885
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 CYP1A2 406/4885ALDH1A1 824/4885HIF1A 1447/4885

“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.