SCHEMBL146835

SCHEMBL146835

O=[N+]([O-])c1cc[c]c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HIF1A Q16665 1/20 0.47
TSHR P16473 5/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 4/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPRC P08575 1/20 0.39
S100A4 P26447 1/20 0.39
ACHE P22303 1/20 0.39
ALOX15 P16050 1/20 0.39
GPR35 Q9HC97 2/20 0.38
CYP3A4 P08684 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP19A1 P11511 1/20 0.38
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37

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
SCHEMBL28911229 0.80 CA12 (0.43) ALDH1A1HIF1ALMNATDP1HSD17B10
SCHEMBL26325 0.77 TSHR (0.48) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL28021555 0.76 HSD17B10 (0.47) ALDH1A1HIF1ATDP1HSD17B10PTPRC
SCHEMBL57963 0.75 HSD17B10 (0.50) ALDH1A1TSHRLMNATDP1HSD17B10
SCHEMBL16005234 0.75 TSHR (0.46) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL3591508 0.75 ALDH1A1 (0.48) ALDH1A1TSHRLMNATDP1HSD17B10
SCHEMBL1473759 0.75 ALDH1A1 (0.47) ALDH1A1TSHRLMNATDP1HSD17B10
SCHEMBL887743 0.75 TSHR (0.48) ALDH1A1TSHRLMNATDP1HSD17B10
SCHEMBL455697 0.75 ALDH1A1 (0.50) ALDH1A1TSHRLMNATDP1HSD17B10
Water SCHEMBL28995322 0.75 TSHR (0.46) ALDH1A1HIF1ATSHRLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295162-A1 SYNTHESIS OF NOVEL IMIPRIDONE DERIVATIVES AND THEIR EVALUATION FOR THEIR ANTICANCER ACTIVITY SEMMELWEIS EGYETEM (HU) 2023-09-21 US claimed
CN-116437925-A Synthesis of novel elmidone derivatives and evaluation of anticancer activity thereof 厄特沃什罗兰科技大学 2023-07-14 CN claimed
EP-4192467-A1 SYNTHESIS OF NOVEL IMIPRIDONE DERIVATIVES AND THEIR EVALUATION FOR THEIR ANTICANCER ACTIVITY Eötvös Loránd Tudományegyetem (HU) 2023-06-14 EP claimed
CN-110734391-B 2, 3-diketone indole compound and preparation method and application thereof 山东大学 2023-05-02 CN claimed
CN-113880762-B Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof 河北农业大学 2023-02-21 CN claimed
CN-113880762-A 1, 8-naphthalimide-containing triacylamine derivatives, and preparation method and application thereof 河北农业大学 2022-01-04 CN claimed
CN-112110846-A N-aryl phthalimide derivative and preparation method and application thereof 河北农业大学 2020-12-22 CN claimed
CN-110734391-A 2, 3-diketone indole compound and preparation method and application thereof 山东大学 2020-01-31 CN claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP claimed
WO-2006127587-A1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO claimed
WO-2006105289-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 WO claimed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 US claimed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US claimed
WO-2005075426-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS THEREOF GLENMARK PHARMACEUTICALS LTD. (US) 2005-08-18 WO claimed
EP-0594047-B1 Arylazo chromoionophores BAYER AG (US) 2000-01-05 EP claimed
US-5473058-A A maltooligosaccharide attached to a dye, preferably resorufin or a halonitro phenol; a substrate in the presence of salivary alpha-amylase BOEHRINGER MANNHEIM GMBH (DE) 1995-12-05 US claimed
US-5470715-A Composition for determination of chloride ion TOYO BOSEKI KABUSHIKI KAISHA (JP) 1995-11-28 US claimed
US-5310888-A Calcium detection MILES INC. (US) 1994-05-10 US claimed
EP-0594047-A1 Arylazo chromoionophores Bayer Corporation (US) 1994-04-27 EP claimed

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-20230295162-A1 SYNTHESIS OF NOVEL IMIPRIDONE DERIVATIVES AND THEIR EVALUATION FOR THEIR ANTICANCER ACTIVITY IMPA1, REN, IGF1R ALDH1A1 38/4885HIF1A 3234/4885TSHR 1686/4885
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents NOD2, BAK1, CASP3 ALDH1A1 3885/4885HIF1A 3603/4885TSHR 4510/4885
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 ALDH1A1 1221/4885HIF1A 3939/4885TSHR 3391/4885

“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.