SCHEMBL19249403

SCHEMBL19249403

Cc1[nH]c2ccc(C(C)(C)O)nc2c1Cc1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.38
▸ PTGS2 P35354 3/20 0.38
▸ ADRB2 P07550 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TBXAS1 P24557 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ABCC9 O60706 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ KCNJ8 Q15842 1/20 0.33

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
SCHEMBL19249657 0.84 PTGS1 (0.45) PTGS1PTGS2ADRB2PKMALDH1A1
SCHEMBL19249407 0.82 ADRB2 (0.35) PTGS1PTGS2ADRB2TBXAS1PTPN5
SCHEMBL19249472 0.76 PTGS1 (0.45) PTGS1PTGS2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20915784 0.74 NPSR1 (0.39) PKMALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4909701 0.73 PTGS2 (0.50) PTGS1PTGS2TBXAS1PTPN5
SCHEMBL19249384 0.73 PTGS2 (0.48) PTGS1PTGS2ALDH1A1SMN1; SMN2TBXAS1
SCHEMBL29595303 0.72 MAPT (0.52) PTGS1PTGS2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL19249695 0.72 MAPT (0.52) PTGS1PTGS2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL19249408 0.72 GPR119 (0.39) PKMMEN1KMT2ANPSR1
SCHEMBL19212556 0.71 PTGS2 (0.46) PTGS1PTGS2ALDH1A1TBXAS1LMNA

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 6 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
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

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 PTGS1 793/4885PTGS2 776/4885ADRB2 203/4885
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT PTGS1 793/4885PTGS2 776/4885ADRB2 203/4885

“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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