SCHEMBL2998145

SCHEMBL2998145

O=C(NO)c1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.76
HDAC1 Q13547 6/20 0.76
KDM1A O60341 1/20 0.70
ALDH1A1 P00352 1/20 0.70
KDM4E B2RXH2 2/20 0.64
MPO P05164 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2A6 P11509 1/20 0.64
CYP2C19 P33261 1/20 0.64
GAA P10253 1/20 0.61
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC3 O15379 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
IDO1 P14902 1/20 0.58
ALOX15 P16050 1/20 0.58

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
Iodomethane SCHEMBL1681355 0.93 HDAC6 (0.68) HDAC6HDAC1KDM1AALDH1A1KDM4E
SCHEMBL2992964 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL2004792 0.82 ALDH1A1 (0.73) HDAC6HDAC1ALDH1A1KDM4EMPO
SCHEMBL12472779 0.82 HDAC6 (1.00) HDAC6HDAC1KDM1AALDH1A1HDAC2
SCHEMBL3673435 0.81 HDAC6 (0.75) HDAC6HDAC1HDAC2HDAC8HDAC3
Hydrochloric Acid SCHEMBL10704343 0.80 HDAC6 (0.53) HDAC6HDAC1KDM1AALDH1A1KDM4E
Isoniazid SCHEMBL228 0.78 KDM4E (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
Isoniazid SCHEMBL16642161 0.78 KDM4E (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
Isoniazid SCHEMBL16642160 0.78 KDM4E (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL1744086 0.78 ALDH1A1 (0.67) HDAC6HDAC1ALDH1A1KDM4EMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9538759-B2 Chemical compositions and methodology to enhance plant growth and development MCDANIEL ROBERT GENE (US) 2017-01-10 US claimed
EP-1841772-B1 TETRAHYDROFURANE DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES SANOFI SA (FR) 2015-05-06 EP claimed
US-20150038330-A1 Chemical Compositions and Methodology to Enhance Plant Growth and Development MCDANIEL ROBERT GENE (US) 2015-02-05 US claimed
EP-1461010-A2 HYDROXAMIC ACID AND ITS DERIVATIVES AS INHIBITORS OF MELANOCYTE TYROSINASE FOR TOPICAL SKIN LIGHTENERS Integriderm, Inc. (US) 2004-09-29 EP claimed
US-20030199558-A1 Hydroxamic acid and its derivatives as inhibitors of melanocyte tyrosinase for topical skin lighteners INTEGRIDERM, INC. 2003-10-23 US claimed
WO-2003057184-A2 HYDROXAMIC ACID AND ITS DERIVATIVES AS INHIBITORS OF MELANOCYTE TYROSINASE FOR TOPICAL SKIN LIGHTENERS INTEGRIDERM, INC. (US) 2003-07-17 WO claimed
CN-116162055-B Method for preparing piperidine derivative from pyridine N-oxide derivative 山东汇智药物研究有限公司 2023-09-12 CN disclosed
CN-116162055-A Method for preparing piperidine derivative from pyridine N-oxide derivative 山东汇智药物研究有限公司 2023-05-26 CN disclosed
US-20230056785-A1 GAS-STORING MATERIAL INCLUDING METAL/ORGANIC FRAMEWORK BONDED BY HYDROXAMIC ACID RIKKYO EDUCATIONAL CORPORATION (JP) 2023-02-23 US disclosed
WO-2021117741-A1 GAS-STORING MATERIAL INCLUDING METAL/ORGANIC FRAMEWORK BONDED BY HYDROXAMIC ACID 学校法人立教学院 2021-06-17 WO disclosed
WO-2019180653-A1 COMPOSITIONS, MATERIALS, AND METHODS FOR DEACTIVATING TOXIC AGENTS INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (INSTEM) (IN) 2019-09-26 WO disclosed
US-9538759-B2 Chemical compositions and methodology to enhance plant growth and development MCDANIEL ROBERT GENE (US) 2017-01-10 US disclosed
US-8877935-B2 One-pot process for the synthesis of dalfampridine PROCOS S.P.A. (IT) 2014-11-04 US disclosed
US-4608373-A BACTERICIDES, ANTIBIOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-08-26 US disclosed
US-4546176-A 7-Carboxymethoxyphenylacetamido-3-cephem derivatives and antibacterial preparations containing the same EISAI CO., LTD. (JP) 1985-10-08 US disclosed
EP-0142274-A2 Cephalosporin compounds and salts thereof, their production, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1985-05-22 EP disclosed
EP-0112164-A2 Cephem compounds, and their production, and medicaments containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-06-27 EP disclosed
EP-0060144-A2 Cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed
US-4336253-A Cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1982-06-22 US disclosed
US-4215118-A BACTERICIDES, ANIMAL GROWTH PROMOTERS, PRESERVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1980-07-29 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 (1 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-20030199558-A1 Hydroxamic acid and its derivatives as inhibitors of melanocyte tyrosinase for topical skin lighteners TYR, MC1R, MITF HDAC6 647/4885HDAC1 466/4885KDM1A 344/4885

“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.