SCHEMBL19249657

SCHEMBL19249657

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.45
▸ PTGS2 P35354 4/20 0.45
▸ ADRB2 P07550 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TBXAS1 P24557 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HDAC4 P56524 1/20 0.32

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
SCHEMBL19249403 0.84 PTGS1 (0.38) PTGS1PTGS2ADRB2RXFP1LOXL2
SCHEMBL19249384 0.80 PTGS2 (0.48) PTGS1PTGS2LOXL2SMN1; SMN2ALDH1A1
SCHEMBL19249472 0.78 PTGS1 (0.45) PTGS1PTGS2RXFP1SMN1; SMN2ALDH1A1
SCHEMBL4909701 0.75 PTGS2 (0.50) PTGS1PTGS2TBXAS1
SCHEMBL19249695 0.74 MAPT (0.52) PTGS1PTGS2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL29595303 0.74 MAPT (0.52) PTGS1PTGS2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19212556 0.73 PTGS2 (0.46) PTGS1PTGS2ALDH1A1LMNATBXAS1
SCHEMBL19212538 0.70 NPC1 (0.36) RXFP1LOXL2SMN1; SMN2ALDH1A1LMNA
SCHEMBL20489234 0.70 LMNA (0.56) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL19249951 0.68 PTPN5 (0.56) PTGS1PTGS2SMN1; SMN2ALDH1A1LMNA

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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