SCHEMBL645594

SCHEMBL645594

COc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
GPR35 Q9HC97 2/20 0.64
L3MBTL1 Q9Y468 3/20 0.59
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ERN1 O75460 2/20 0.51
GAA P10253 2/20 0.50
G6PD P11413 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PKM P14618 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
SCHEMBL31444118 1.00 ALDH1A1 (0.67) ALDH1A1TDP1GPR35L3MBTL1MAPT
SCHEMBL27504207 0.98 ALDH1A1 (0.65) ALDH1A1TDP1GPR35L3MBTL1MAPT
SCHEMBL29760718 0.98 ALDH1A1 (0.65) ALDH1A1TDP1GPR35L3MBTL1MAPT
Ethoxycarbonyl Group SCHEMBL25296570 0.85 ALDH1A1 (0.50) ALDH1A1TDP1GPR35L3MBTL1MAPT
SCHEMBL68284 0.83 TDP1 (0.53) ALDH1A1TDP1GPR35L3MBTL1MAPT
SCHEMBL1161927 0.81 TDP1 (0.71) ALDH1A1TDP1GPR35L3MBTL1MAPT
SCHEMBL7159716 0.81 ALDH1A1 (0.71) ALDH1A1TDP1GPR35L3MBTL1MAPT
SCHEMBL2088309 0.81 TDP1 (0.71) ALDH1A1TDP1GPR35L3MBTL1MAPT
SCHEMBL31119225 0.81 TDP1 (0.71) ALDH1A1TDP1GPR35L3MBTL1MAPT
SCHEMBL31119224 0.81 TDP1 (0.71) ALDH1A1TDP1GPR35L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12350352-B2 Composition for surface modification LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2025-07-08 US disclosed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 EP disclosed
US-12128257-B2 Extracts of Isochrysis sp SYMRISE AG (DE) 2024-10-29 US disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
EP-3342395-B1 COMPOSITION FOR HAIR SURFACE MODIFICATION LG HOUSEHOLD & HEALTH CARE LTD (KR) 2024-08-07 EP disclosed
US-20240254317-A1 DOPANT SOLUTION FOR CONDUCTIVE POLYMER, MONOMER LIQUID FOR PRODUCING CONDUCTIVE POLYMER, CONDUCTIVE COMPOSITION AND METHOD FOR PRODUCING SAME, AND ELECTROLYTIC CAPACITOR AND METHOD FOR PRODUCING SAME TAYCA CORPORATION (JP) 2024-08-01 US disclosed
EP-4406617-A2 COMPOSITION FOR SURFACE MODIFICATION LG Household & Health Care Ltd. (KR) 2024-07-31 EP disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
US-5716929-A THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1998-02-10 US disclosed
CN-1159196-A Inhibitors of interleukin-1'beta' converting enzyme VERTEX PHARMA (US) 1997-09-10 CN disclosed
US-5656627-A USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1997-08-12 US disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 WO disclosed
EP-0333176-B1 Substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI CHEMICAL IND (JP) 1995-11-08 EP disclosed
US-4965261-A Substituted benzoxazinorifamycin derivative and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-10-23 US disclosed
EP-0333176-A2 Substituted benzoxazinorifamycin derivative, process for preparing the same and antibacterial agent containing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-09-20 EP disclosed
US-4207318-A ANTIALLERGIC ACTIVITY, BRONCHODILATOR ROUSSEL UCLAF (FR) 1980-06-10 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 (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-20240254317-A1 DOPANT SOLUTION FOR CONDUCTIVE POLYMER, MONOMER LIQUID FOR PRODUCING CONDUCTIVE POLYMER, CONDUCTIVE COMPOSITION AND METHOD FOR PRODUCING SAME, AND ELECTROLYTIC CAPACITOR AND METHOD FOR PRODUCING SAME ADCY10, ADCY1, ADH1A ALDH1A1 165/4885TDP1 2783/4885GPR35 690/4885
US-12350352-B2 Composition for surface modification CUTA, PTMS, DNMT1 ALDH1A1 1329/4885TDP1 2388/4885GPR35 2709/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 ALDH1A1 4807/4885TDP1 1065/4885GPR35 1747/4885

“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.