SCHEMBL78800

SCHEMBL78800

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HIF1A Q16665 1/20 0.53
VCAM1 P19320 1/20 0.50
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 6/20 0.40
HTT P42858 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
MITF O75030 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.40
MMP2 P08253 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP3A4 P08684 2/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL7731260 0.89 PLAU (0.43) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL6895856 0.89 ALDH1A1 (0.43) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL11220630 0.84 TSHR (0.47) ALDH1A1TDP1ATMMAPK1LMNA
SCHEMBL124224 0.81 CYP3A4 (0.49) ALDH1A1TDP1MAPK1LMNAHTT
SCHEMBL29389795 0.81 CYP3A4 (0.49) ALDH1A1TDP1MAPK1LMNAHTT
SCHEMBL14123992 0.80 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL61198 0.79 CYP3A4 (0.56) ALDH1A1TDP1MAPK1LMNAMEN1
SCHEMBL1020966 0.79 TDP1 (0.59) ALDH1A1VCAM1TDP1MAPK1MEN1
SCHEMBL10883032 0.79 MEN1 (0.59) ALDH1A1HIF1ATDP1MAPK1LMNA
SCHEMBL10763991 0.79 KIF11 (0.43) ALDH1A1HIF1ATDP1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
CN-116042168-A High-viscosity quick UV (ultraviolet) curing adhesive and preparation method thereof 安徽大学 2023-05-02 CN claimed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN disclosed
US-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-09-07 US disclosed
CN-116042168-A High-viscosity quick UV (ultraviolet) curing adhesive and preparation method thereof 安徽大学 2023-05-02 CN disclosed
US-20200397755-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-24 US disclosed
EP-3296309-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2019-08-07 EP disclosed
US-20180169070-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2018-06-21 US disclosed
EP-3296309-A1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS Universiteit Gent (BE) 2018-03-21 EP disclosed
US-9775829-B2 Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2017-10-03 US disclosed
EP-2877480-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2017-09-06 EP disclosed
EP-0745599-A2 1-(3-Heterocyclylphenyl)-s-triazine-2,4,6-oxo or thiotrione herbicidal agents American Cyanamid Company (US) 1996-12-04 EP disclosed
EP-0553107-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARMACEUTICALS, INC. (US) 1993-08-04 EP disclosed
US-5182336-A Compatibilizing agents, polyphenylene ether, alkenylaromatic polymer, polyamide, lactam SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-01-26 US disclosed
WO-1992002484-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY ALDER RESEARCH CENTER LIMITED PARTNERSHIP (US) 1992-02-20 WO disclosed
EP-0435504-A2 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 EP disclosed
US-4310537-A ANTHELMINTICS AND FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-01-12 US disclosed
US-4060636-A Acetyl- and carbalkoxythioureidobenzophenones as anthelmintic agents ROHM AND HAAS COMPANY (US) 1977-11-29 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-20180169070-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C ALDH1A1 936/4885HIF1A 1029/4885VCAM1 1877/4885
US-20200397755-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C ALDH1A1 936/4885HIF1A 1029/4885VCAM1 1877/4885
US-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C ALDH1A1 936/4885HIF1A 1029/4885VCAM1 1877/4885

“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.