SCHEMBL19212556

SCHEMBL19212556

Cc1[nH]c2ccncc2c1Cc1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.46
▸ PTGS1 P23219 3/20 0.46
▸ TBXAS1 P24557 1/20 0.45
▸ HTR6 P50406 3/20 0.40
▸ NAMPT P43490 3/20 0.37
▸ PTPN5 P54829 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ACHE P22303 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL29595303 0.83 MAPT (0.52) PTGS2PTGS1HTR6ALDH1A1MEN1
SCHEMBL19249695 0.83 MAPT (0.52) PTGS2PTGS1HTR6ALDH1A1MEN1
SCHEMBL19249384 0.74 PTGS2 (0.48) PTGS2PTGS1TBXAS1ALDH1A1LMNA
SCHEMBL29595705 0.73 PTPN5 (0.56) PTGS2PTGS1TBXAS1PTPN5CYP2C9
SCHEMBL19249951 0.73 PTPN5 (0.56) PTGS2PTGS1TBXAS1PTPN5CYP2C9
SCHEMBL19249657 0.73 PTGS1 (0.45) PTGS2PTGS1TBXAS1ALDH1A1MEN1
SCHEMBL29596224 0.72 NPC1 (0.49) PTGS2PTGS1TBXAS1HTR6PTPN5
SCHEMBL19212565 0.72 NPC1 (0.49) PTGS2PTGS1TBXAS1HTR6PTPN5
SCHEMBL19249403 0.71 PTGS1 (0.38) PTGS2PTGS1TBXAS1PTPN5ALDH1A1
SCHEMBL20489234 0.70 LMNA (0.56) ALDH1A1MEN1LMNAMAPK1KMT2A

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-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 — — US disclosed
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 — — US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 — — US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 — — US disclosed
EP-3414226-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF Pharmaxis Ltd. (AU) 2018-12-19 — — EP disclosed
WO-2017136871-A9 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 — — WO disclosed
WO-2017136871-A9 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2018-02-15 — — WO disclosed
WO-2017136871-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 — — WO disclosed
WO-2017136871-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2017-08-17 — — 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 (2 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-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT PTGS2 776/4885PTGS1 793/4885TBXAS1 578/4885
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT PTGS2 776/4885PTGS1 793/4885TBXAS1 578/4885

“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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