SCHEMBL584346

SCHEMBL584346

CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
GAA P10253 1/20 0.73
LMNA P02545 7/20 0.67
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
MAPT P10636 6/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
HTT P42858 3/20 0.67
RECQL P46063 1/20 0.61
TRPV1 Q8NER1 1/20 0.55
POLB P06746 1/20 0.55
CA1 P00915 1/20 0.55
MMP2 P08253 1/20 0.55
CA14 Q9ULX7 1/20 0.55
MAPK1 P28482 2/20 0.54
RAB9A P51151 1/20 0.54
MCL1 Q07820 1/20 0.54
HCRTR1 O43613 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL2333062 0.87 HTT (0.61) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL2853073 0.85 LMNA (0.73) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL13533942 0.85 ALDH1A1 (0.56) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL2853072 0.85 LMNA (0.73) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL4968283 0.85 ALDH1A1 (1.00) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL11526803 0.85 HTT (0.71) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL6321203 0.84 FBP1 (0.57) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL29780113 0.84 LMNA (0.63) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL5881545 0.84 LMNA (0.63) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL5523784 0.84 MEN1 (0.67) ALDH1A1GAALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5310680-A None JP disclosed
US-20230391760-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-12-07 US disclosed
CN-116547279-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-08-04 CN disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
WO-2021263079-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2021-12-30 WO disclosed
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-02-27 US disclosed
CN-106983751-B Bicyclic substituted uracils and their use 拜耳医药股份有限公司 2020-01-07 CN disclosed
US-10300062-B2 Bicyclically substituted uracils and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-05-28 US disclosed
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed
US-5672759-A BOARD RANGE OF SHADES OF COLOR EXHIBIT LIGHT RESISTANCE, WASHFASTNESS, WEATHERPROOFING AND RESISTANCE TO VARIOUS TREATMENT TO WHICH HAIR MAY BE SUBJECTED L'OREAL (FR) 1997-09-30 US disclosed
US-5534037-A Dye composition for keratinic fibres containing sulfured metaphenylenediamines, dyeing process and new sulfured metaphenylenediamines and preparation method thereof L'OREAL (FR) 1996-07-09 US disclosed
EP-0547414-B1 Process for the preparation of N-substituted nitro-p-phenylenediamines HOECHST AG (DE) 1996-03-20 EP disclosed
EP-0586648-B1 DYE COMPOSITION FOR KERATINIC FIBRES CONTAINING SULFURED METAPHENYLENEDIAMINES, DYEING PROCESS AND NEW SULFURED METAPHENYLENEDIAMINES AND PREPARATION METHOD THEREOF OREAL (FR) 1995-12-06 EP disclosed
US-5414128-A Dehydrofluorination for amination CASSELLA AG (DE) 1995-05-09 US disclosed
EP-0586648-A1 DYE COMPOSITION FOR KERATINIC FIBRES CONTAINING SULFURED METAPHENYLENEDIAMINES, DYEING PROCESS AND NEW SULFURED METAPHENYLENEDIAMINES AND PREPARATION METHOD THEREOF. OREAL (FR) 1994-03-16 EP disclosed
JP-H05310680-A 5-ACETYLAMINOSULFONANILIDE COMPOUND TAISHO PHARMACEUT CO LTD 1993-11-22 JP disclosed
WO-1993016990-A1 DYE COMPOSITION FOR KERATINIC FIBRES CONTAINING SULFURED METAPHENYLENEDIAMINES, DYEING PROCESS AND NEW SULFURED METAPHENYLENEDIAMINES AND PREPARATION METHOD THEREOF L'OREAL (FR) 1993-09-02 WO disclosed
EP-0547414-A2 Process for the preparation of N-substituted nitro-p-phenylenediamines HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-23 EP disclosed
US-4665083-A ANTIDEPRESSANT, ANTIEPILEPTIC, SPASMOLYTIC, ANTIPARKINSONIC EGIS GYOGYSZERGYAR (HU) 1987-05-12 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 (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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B ALDH1A1 1451/4885GAA 125/4885LMNA 387/4885
US-20230391760-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR ALDH1A1 840/4885GAA 1083/4885LMNA 3670/4885
US-10300062-B2 Bicyclically substituted uracils and the use thereof UNG, UMPS, TYMP ALDH1A1 437/4885GAA 517/4885LMNA 2094/4885
US-20200061063-A1 BICYCLICALLY SUBSTITUTED URACILS AND THE USE THEREOF UNG, UMPS, TYMP ALDH1A1 437/4885GAA 517/4885LMNA 2094/4885

“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.