SCHEMBL435666

SCHEMBL435666

NOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA9 Q16790 2/20 0.59
ALDH1A1 P00352 4/20 0.56
IDO1 P14902 2/20 0.55
HSPB1 P04792 1/20 0.55
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
HSD17B10 Q99714 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
ACHE P22303 1/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50

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
Hydrochloric Acid SCHEMBL8188901 0.98 CA1 (0.57) CA1CA2CA9ALDH1A1IDO1
SCHEMBL23385506 0.94 HSPB1 (0.66) CA1CA2CA9ALDH1A1IDO1
SCHEMBL2011179 0.80 HSPB1 (0.79) CA1CA2CA9ALDH1A1HSPB1
SCHEMBL9183872 0.80 HSPB1 (0.79) CA1CA2CA9ALDH1A1HSPB1
SCHEMBL11689190 0.80 HSPB1 (0.79) CA1CA2CA9ALDH1A1HSPB1
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.80 HSPB1 (0.79) CA1CA2CA9ALDH1A1HSPB1
Hydrazine SCHEMBL27401571 0.79 ALDH1A1 (0.74) CA1CA2CA9ALDH1A1IDO1
SCHEMBL27909482 0.79 ALDH1A1 (0.72) CA1CA2CA9ALDH1A1CES1
SCHEMBL22567 0.79 ALDH1A1 (0.72) CA1CA2CA9ALDH1A1CES1
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.78 HSPB1 (0.76) CA1CA2CA9ALDH1A1HSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312343-B1 HAIR TREATMENT PRODUCT UNILEVER PLC (GB) 1992-06-03 EP claimed
EP-0085596-B1 APPLICATION AS PLANT GROWTH FACTORS OF O-PHENYL HYDROXYL AMINE AND CERTAIN DERIVATIVES THEROF ROUSSEL-UCLAF (FR) 1985-03-27 EP claimed
JP-60169447-A None JP disclosed
CN-114423766-B Pentane derivatives for the treatment of bacterial infections 丹诺医药(苏州)有限公司 2024-05-17 CN disclosed
CN-115505018-B Fusidic acid derivative with anti-inflammatory activity and preparation method and application thereof 烟台大学 2023-10-24 CN disclosed
WO-2023175184-A1 2,4-DIOXO-1,4-DIHYDROQUINAZOLINE DERIVATIVES AS PARG INHIBITORS FOR THE TREATMENT OF CANCER FORX THERAPEUTICS AG (CH) 2023-09-21 WO disclosed
US-11740198-B2 Formaldehyde detecting sensor and system using the same NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2023-08-29 US disclosed
CN-115505018-A Fusidic acid derivative with anti-inflammatory activity and preparation method and application thereof 烟台大学 2022-12-23 CN disclosed
CN-115109020-A Spirolactone substituted cyclohexadienone oxime compound and synthesis method thereof 南方科技大学 2022-09-27 CN disclosed
CN-114853660-A Indolinone-substituted cyclohexadienone oxime compound and synthesis method thereof 南方科技大学 2022-08-05 CN disclosed
CN-114423766-A Penicilliane derivatives for the treatment of bacterial infections 丹诺医药(苏州)有限公司 2022-04-29 CN disclosed
WO-2005023759-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-03-10 US disclosed
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. 2005-03-03 US disclosed
EP-0442172-A1 Oxime derivatives and Herbicides containing the same as an active ingredient TEIJIN LIMITED (JP) 1991-08-21 EP disclosed
EP-0433451-A1 OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1991-06-26 EP disclosed
WO-1990001874-A1 OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1990-03-08 WO disclosed
JP-S60169447-A PRODUCTION OF O-ARYL HYDROXYLAMINE MITSUI PETROCHEM IND LTD 1985-09-02 JP disclosed
US-4451283-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-29 US disclosed
WO-1983002545-A1 APPLICATION AS GROWTH FACTORS OF VEGETABLES OF HYDROXYLAMINE DERIVATIVES ROUSSEL UCLAF (FR) 1983-08-04 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 (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-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 CA1 4708/4885CA2 4370/4885CA9 2586/4885
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 CA1 4708/4885CA2 4370/4885CA9 2586/4885

“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.