SCHEMBL514996

SCHEMBL514996

[CH2]OC(=O)c1ccccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GAA P10253 3/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
PPIA P62937 1/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6953378 0.82 NPC1 (0.36) MAPTGAALMNAPOLBALDH1A1
SCHEMBL514136 0.81 MAPT (0.50) MAPTGAALMNAPOLBALDH1A1
SCHEMBL23037579 0.81 MAPT (0.42) MAPTGAALMNAPOLBALDH1A1
SCHEMBL181067 0.81 ALDH1A1 (0.55) MAPTGAALMNAPOLBALDH1A1
SCHEMBL1255394 0.78 HSD17B10 (0.58) MAPTLMNAPOLBALDH1A1KDM4E
SCHEMBL27976004 0.78 MAPT (0.43) MAPTGAALMNAPOLBALDH1A1
SCHEMBL515447 0.78 PPIA (0.43) MAPTGAALMNAPOLBALDH1A1
SCHEMBL31000747 0.77 PPIA (0.45) MAPTGAALMNAPOLBALDH1A1
SCHEMBL2913776 0.77 ALDH1A1 (0.45) MAPTGAALMNAPOLBALDH1A1
SCHEMBL6276445 0.77 PPIA (0.45) MAPTGAALMNAPOLBALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
EP-0066378-B1 PHARMACEUTICAL SPIRO-HYDANTOIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-02 EP claimed
US-4386100-A COMPLICATIONS OF DIABETES OR GALACTOSEMIA IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-05-31 US claimed
EP-0066378-A1 Pharmaceutical spiro-hydantoin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-08 EP claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-0066378-B1 PHARMACEUTICAL SPIRO-HYDANTOIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-02 EP disclosed
US-4386100-A COMPLICATIONS OF DIABETES OR GALACTOSEMIA IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-05-31 US disclosed
EP-0066378-A1 Pharmaceutical spiro-hydantoin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-08 EP 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 (1 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 MAPT 4824/4885GAA 4215/4885LMNA 4076/4885

“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.