SCHEMBL921317

SCHEMBL921317

NCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.61
ST14 Q9Y5Y6 1/20 0.56
LTA4H P09960 1/20 0.53
LOX P28300 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49
MAPK14 Q16539 1/20 0.48
AOC3 Q16853 1/20 0.48
IDO1 P14902 2/20 0.47
KIF11 P52732 1/20 0.47
TTBK1 Q5TCY1 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
Hydrochloric Acid SCHEMBL17136566 0.98 MAOB (0.64) MAOBST14LTA4HLOXLOXL2
Trifluoroacetic Acid SCHEMBL17136514 0.90 MAPK14 (0.53) MAOBST14LTA4HLOXLOXL2
SCHEMBL920369 0.90 MAOB (0.57) MAOBLTA4HLOXLOXL2TAAR1
SCHEMBL9108649 0.89 MAOB (0.64) MAOBLTA4HTAAR1MAPK14AOC3
SCHEMBL27579381 0.88 LTA4H (0.59) LTA4HMAPK14KIF11TTBK1ALDH1A1
SCHEMBL10737764 0.85 LTA4H (0.52) MAOBLTA4HMAPK14IDO1KIF11
SCHEMBL9900818 0.85 LTA4H (0.52) MAOBLTA4HMAPK14IDO1KIF11
SCHEMBL32402331 0.85 LTA4H (0.52) MAOBLTA4HMAPK14IDO1KIF11
SCHEMBL875576 0.85 LTA4H (0.58) MAOBLTA4HMAPK14KIF11ALDH1A1
SCHEMBL920315 0.85 MAOB (0.54) MAOBST14LTA4HLOXLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same EA PHARMA CO., LTD. (JP) 2020-04-21 US disclosed
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO., LTD. (JP) 2016-11-17 US disclosed
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO., LTD. (JP) 2016-11-17 US disclosed
US-20150284375-A1 HETEROCYCLIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME AJINOMOTO CO., INC. (JP) 2015-10-08 US disclosed
WO-2014098098-A1 HETEROCYCLIC AMIDE DERIVATIVE, AND MEDICINE CONTAINING SAME 味の素株式会社 (JP) 2014-06-26 WO disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 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 (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-20150284375-A1 HETEROCYCLIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME TRPA1, TRPV1, TRPV2 MAOB 2111/4885ST14 4270/4885LTA4H 194/4885
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME TRPA1, TRPV1, TRPV2 MAOB 2570/4885ST14 2224/4885LTA4H 375/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 MAOB 3730/4885ST14 708/4885LTA4H 3410/4885
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same TRPA1, TRPV1, TRPV2 MAOB 2570/4885ST14 2224/4885LTA4H 375/4885

“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.