SCHEMBL2728372

SCHEMBL2728372

O=C(O)Cc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.69
POLB P06746 1/20 0.43
AMY1A P0DUB6 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
GSK3B P49841 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 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
SCHEMBL11072555 1.00 CYP1A2 (0.69) CYP1A2POLBAMY1AALDH1A1TDP1
SCHEMBL3737258 0.87 CYP1A2 (0.64) CYP1A2POLBAMY1AALDH1A1TDP1
SCHEMBL3737256 0.87 CYP1A2 (0.64) CYP1A2POLBAMY1AALDH1A1TDP1
SCHEMBL6292292 0.84 CYP1A2 (0.75) CYP1A2AMY1AALDH1A1TDP1CYP3A4
SCHEMBL18982479 0.84 CYP1A2 (0.53) CYP1A2POLBALDH1A1TDP1CYP3A4
SCHEMBL17353527 0.84 CYP1A2 (0.53) CYP1A2POLBALDH1A1TDP1CYP3A4
SCHEMBL28551175 0.83 MAOA (0.49) CYP1A2POLBALDH1A1MAPTMEN1
SCHEMBL6037267 0.83 CYP1A2 (0.73) CYP1A2AMY1AALDH1A1TDP1CYP3A4
SCHEMBL16619742 0.81 CYP1A2 (0.47) CYP1A2POLBALDH1A1TDP1MAPT
SCHEMBL865986 0.81 CYP1A2 (1.00) CYP1A2ALDH1A1TDP1MAPTGAA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383893-A1 Hydroxamic Acid Compound Having ENPP1 Inhibitory Activity and Use Thereof HAIHE BIOPHARMA CO., LTD. (CN) 2024-11-21 US disclosed
EP-4400493-A1 HYDROXAMIC ACID COMPOUND HAVING ENPP1 INHIBITORY ACTIVITY AND USE THEREOF Haihe Biopharma Co., Ltd. (CN) 2024-07-17 EP disclosed
CN-117980293-A Hydroxamic acid compound with ENPP1 inhibitory activity and application thereof 上海海和药物研究开发股份有限公司 2024-05-03 CN disclosed
WO-2023036289-A1 HYDROXAMIC ACID COMPOUND HAVING ENPP1 INHIBITORY ACTIVITY AND USE THEREOF 上海海和药物研究开发股份有限公司 2023-03-16 WO disclosed
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
US-4426536-A Synthesis of phenylacetic acid esters ELI LILLY AND COMPANY (US) 1984-01-17 US disclosed
EP-0098058-A1 Synthesis of phenylacetic acid esters ELI LILLY AND COMPANY (US) 1984-01-11 EP 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 (2 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-20240383893-A1 Hydroxamic Acid Compound Having ENPP1 Inhibitory Activity and Use Thereof ENPP1, ENPP2, ENPP3 CYP1A2 4427/4885POLB 2967/4885AMY1A 2406/4885
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 CYP1A2 3208/4885POLB 4799/4885AMY1A 2100/4885

“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.