SCHEMBL2077031

SCHEMBL2077031

O=[N+]([O-])/C=C/c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 1.00
EGFR P00533 3/20 1.00
ABL1 P00519 1/20 0.63
ABL2 P42684 1/20 0.63
ALDH1A1 P00352 4/20 0.58
LMNA P02545 4/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TLR4 O00206 1/20 0.55
TLR2 O60603 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GALR2 O43603 1/20 0.53
HTT P42858 1/20 0.53
SYK P43405 1/20 0.53
VCP P55072 1/20 0.53
S1PR4 O95977 1/20 0.51
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL2077034 1.00 FBP1 (1.00) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL6910815 0.89 FBP1 (0.78) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL6910818 0.89 FBP1 (0.78) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL28838361 0.81 TYR (0.69) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL3667077 0.79 EGFR (0.93) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL3667079 0.79 EGFR (0.93) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL421633 0.78 FBP1 (0.64) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL102630 0.78 FBP1 (1.00) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL1681205 0.78 FBP1 (1.00) FBP1EGFRALDH1A1LMNAMAPT
SCHEMBL366122 0.78 FBP1 (1.00) FBP1EGFRABL1ABL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
CN-111655665-B Nitroolefin non-steroidal anti-inflammatory drugs (NA-NSAIDS) and methods of treating inflammation-related disorders 蒙得维的亚巴斯德研究所 2024-11-15 CN disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
EP-3189049-B1 PHTHALAZINE DERIVATIVES OF FORMULA (I) AS PCAF AND GCN5 INHIBITORS FOR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2024-03-20 EP disclosed
EP-3732162-B1 NITROALKENE NON STEROIDAL ANTI-INFLAMMATORY DRUGS (NA-NSAIDS) AND METHODS OF TREATING INFLAMMATION RELATED CONDITIONS INST PASTEUR DE MONTEVIDEO (UY) 2024-03-06 EP disclosed
US-20210107860-A1 NITROALKENE NON STEROIDAL ANTI-INFLAMMATORY DRUGS (NA-NSAIDS) AND METHODS OF TREATING INFLAMMATION RELATED CONDITIONS INSTITUT PASTEUR DE MONTEVIDEO (UY) 2021-04-15 US disclosed
US-20210107860-A1 NITROALKENE NON STEROIDAL ANTI-INFLAMMATORY DRUGS (NA-NSAIDS) AND METHODS OF TREATING INFLAMMATION RELATED CONDITIONS INSTITUT PASTEUR DE MONTEVIDEO (UY) 2021-04-15 US disclosed
EP-3003301-B1 NOVEL SUICIDAL LSD1 INHIBITORS TARGETING SOX2-EXPRESSING CANCER CELLS BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIV OF NEVADA LAS VEGAS (US) 2021-02-24 EP disclosed
EP-3003301-B1 NOVEL SUICIDAL LSD1 INHIBITORS TARGETING SOX2-EXPRESSING CANCER CELLS BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIV OF NEVADA LAS VEGAS (US) 2021-02-24 EP disclosed
US-10906864-B2 Nitroalkene non steroidal anti-inflammatory drugs (NA-NSAIDS) and methods of treating inflammation related conditions INSTITUT PASTEUR DE MONTEVIDEO (UY) 2021-02-02 US disclosed
EP-1526128-B1 Process the preparation of alpha-hydroxycarboxylic acid amides SYNGENTA PARTICIPATIONS AG (CH) 2007-01-03 EP disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
EP-1444195-B1 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-08-10 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 WO disclosed
EP-1526128-A2 Process the preparation of alpha-hydroxycarboxylic acid amides Syngenta Participations AG (CH) 2005-04-27 EP disclosed
US-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. 2005-01-20 US disclosed
EP-1444195-A2 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES Syngenta Participations AG (CH) 2004-08-11 EP disclosed
WO-2004046081-A1 BETA-NITROSTYRENE COMPOUND AND TELOMERASE INHIBITOR HAVING AN ANTICANCER ACTIVITY DNA LINK, INC. (KR) 2004-06-03 WO disclosed
WO-2003042166-A2 PROCESS FOR PREPARATION OF α-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 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 (4 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-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides HCAR1, HCAR3, HCAR2 FBP1 4377/4885EGFR 2127/4885ABL1 1820/4885
US-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B FBP1 1093/4885EGFR 4700/4885ABL1 2519/4885
US-20210107860-A1 NITROALKENE NON STEROIDAL ANTI-INFLAMMATORY DRUGS (NA-NSAIDS) AND METHODS OF TREATING INFLAMMATION RELATED CONDITIONS PTGES, PTGS1, PTGIS FBP1 4354/4885EGFR 4079/4885ABL1 2877/4885
US-10906864-B2 Nitroalkene non steroidal anti-inflammatory drugs (NA-NSAIDS) and methods of treating inflammation related conditions PTGES, PTGS1, PTGIS FBP1 4354/4885EGFR 4079/4885ABL1 2877/4885

“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.