SCHEMBL6978784

SCHEMBL6978784

CC(C)c1cc([N+](=O)[O-])cc(C(C)C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
GALR3 O60755 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GPR35 Q9HC97 4/20 0.48
ALDH1A1 P00352 2/20 0.48
GABRA1 P14867 3/20 0.48
GABRB1 P18505 3/20 0.48
GABRB2 P47870 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 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
SCHEMBL29438512 0.89 GPR35 (0.61) MEN1KMT2AHTTLMNACA1
SCHEMBL5082940 0.89 GPR35 (0.61) MEN1KMT2AHTTLMNACA1
SCHEMBL19130504 0.84 MEN1 (0.72) MEN1KMT2AHTTLMNACA1
SCHEMBL11776456 0.81 TDP1 (0.57) MEN1KMT2AHTTLMNAGALR3
SCHEMBL14369940 0.81 TSHR (0.52) MEN1KMT2AHTTLMNAGALR3
SCHEMBL28383105 0.79 FFAR1 (0.41) MEN1KMT2AHTTLMNAGALR3
SCHEMBL7928377 0.79 TSHR (0.45) MEN1KMT2AHTTLMNAGALR3
SCHEMBL3607570 0.79 HTT (0.52) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL1647499 0.79 ALDH1A1 (0.56) HTTLMNASMN1; SMN2L3MBTL1GPR35
SCHEMBL9807406 0.78 CA1 (0.52) LMNACA1CA2ALDH1A1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110862349-B Edaravone analogue, and preparation method and application thereof 南京医科大学 2023-05-05 CN disclosed
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 EP disclosed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 CN disclosed
CN-110862349-A Edaravone analogue and preparation method and application thereof 南京医科大学 2020-03-06 CN disclosed
EP-2373605-B1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN UNIV DUNDEE (GB) 2014-08-13 EP disclosed
US-8507724-B2 Compounds for use in the treatment of pain THE UNIVERSITY OF DUNDEE (GB) 2013-08-13 US disclosed
US-8507724-B2 Compounds for use in the treatment of pain THE UNIVERSITY OF DUNDEE (GB) 2013-08-13 US disclosed
US-20120029235-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN THE UNIVERSITY OF DUNDEE (GB) 2012-02-02 US disclosed
US-20120029235-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN THE UNIVERSITY OF DUNDEE (GB) 2012-02-02 US disclosed
WO-2010067069-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN THE UNIVERSITY OF LIVERPOOL (GB) 2010-06-17 WO disclosed
EP-0995743-B1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans SERVIER LAB (FR) 2003-04-02 EP disclosed
US-6350759-B1 ANTIOXIDATIVE AGENTS FOR OXIDATION STRESS, ESPECIALLY AT THE CEREBRAL LEVEL; ADIR ET COMPAGNIE (FR) 2002-02-26 US disclosed
US-6093744-A USE AS CEREBROVASCULAR AGENTS IN DISEASES SUCH AS STROKE, PERIPHERAL VASCULAR DISEASE, RESTENOSIS, AND AS AGENTS FOR REGULATING PLASMA CHOLESTEROL CONCENTRATIONS, FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 2000-07-25 US disclosed
EP-0995743-A1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans ADIR ET COMPAGNIE (FR) 2000-04-26 EP disclosed
US-3933927-A Phenol transalkylation process ETHYL CORPORATION (US) 1976-01-20 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 (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-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 MEN1 4335/4885KMT2A 1474/4885HTT 4697/4885
US-20120029235-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN OPRL1, OPRK1, OPRD1 MEN1 4869/4885KMT2A 1737/4885HTT 1729/4885

“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.