SCHEMBL3718582

SCHEMBL3718582

NCc1ccnc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 7/20 0.57
▸ LOX P28300 2/20 0.54
▸ HDAC1 Q13547 2/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ MAOB P27338 2/20 0.44
▸ LOXL3 P58215 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.41
▸ TOP1 P11387 1/20 0.41
▸ NPBWR1 P48145 1/20 0.41
▸ NR3C2 P08235 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 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
SCHEMBL25007831 0.88 LOXL2 (0.55) LOXL2LOXHDAC1KDM1ALOXL3
SCHEMBL4768871 0.84 HDAC1 (0.49) LOXL2HDAC1KDM1ATGFBR1KIF11
SCHEMBL4769128 0.84 HDAC1 (0.46) LOXL2HDAC1KDM1ATGFBR1KIF11
SCHEMBL18233505 0.82 LOXL2 (0.52) LOXL2LOXMAOBLOXL3
SCHEMBL16005109 0.81 LTA4H (0.49) LOXL2MAOBKIF11LTA4HTOP1
SCHEMBL18049349 0.81 LOXL2 (0.62) LOXL2LOXLOXL3TGFBR1TAAR1
SCHEMBL18224055 0.81 LOXL2 (0.53) LOXL2LOXMAOBLOXL3KIF11
Hydrochloric Acid SCHEMBL18223875 0.81 LOXL2 (0.51) LOXL2LOXMAOBLOXL3
SCHEMBL3720194 0.80 LOXL2 (0.54) LOXL2LOXABL1BCR
SCHEMBL16894175 0.80 LOXL2 (0.59) LOXL2LOXLOXL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 — — US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 — — WO claimed
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-05 — — US disclosed
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-05 — — US disclosed
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same EA PHARMA CO., LTD. (JP) 2020-04-21 — — US disclosed
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
CN-104684899-B Substituted sulfonamide compounds 霍夫曼-拉罗奇有限公司 2017-07-04 — — CN disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 — — 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-9409864-B2 Sulfonamide TRPA1 receptor antagonists ARIO PHARMA LIMITED (GB) 2016-08-09 — — US disclosed
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists ARIO PHARMA LIMITED (GB) 2016-01-28 — — US disclosed
EP-2964615-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS Ario Pharma Limited (GB) 2016-01-13 — — EP disclosed
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 — — EP disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 — — US disclosed
CN-104684899-A Substituted sulfonamide compounds HOFFMANN LA ROCHE 2015-06-03 — — CN disclosed
WO-2014135617-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS PHARMESTE S.R.L. IN LIQUIDATION (IT) 2014-09-12 — — WO disclosed
EP-2774919-A1 Novel sulfonamide TRPA1 receptor antagonists PHARMESTE S.R.L. IN LIQUIDAZIONE (IT) 2014-09-10 — — EP disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 — — US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 — — WO 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 (5 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-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME TRPA1, TRPV1, TRPV2 LOXL2 2699/4885LOX 3462/4885HDAC1 558/4885
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 LOXL2 3346/4885LOX 3635/4885HDAC1 1305/4885
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists TRPA1, TRPV1, TRPV2 LOXL2 2922/4885LOX 3920/4885HDAC1 1318/4885
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF VHL, MDM2, NEDD4 LOXL2 1489/4885LOX 881/4885HDAC1 880/4885
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same TRPA1, TRPV1, TRPV2 LOXL2 2699/4885LOX 3462/4885HDAC1 558/4885

“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.

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