SCHEMBL16635259

SCHEMBL16635259

NCc1cc(Br)cnc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
PKM P14618 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
PLAU P00749 1/20 0.34
CCR5 P51681 1/20 0.33
DYRK1A Q13627 4/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 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
SCHEMBL9949429 0.79 MAPT (0.38) KMT2AHTTPKMMAPTMEN1
SCHEMBL14051242 0.77 HTT (0.56) KMT2AHTTPKMMAPTMEN1
SCHEMBL29607382 0.77 HTT (0.56) KMT2AHTTPKMMAPTMEN1
SCHEMBL25117950 0.75 LOXL2 (0.35) KMT2AMEN1LMNAGABRA1GABRB2
SCHEMBL2067701 0.75 HTT (0.39) KMT2AHTTPLAUCCR5DYRK1A
SCHEMBL15052641 0.75 CCR5 (0.42) KMT2AHTTPLAUCCR5DYRK1A
SCHEMBL2066694 0.75 HTT (0.39) KMT2AHTTMAPTPLAUCCR5
Hydrochloric Acid SCHEMBL16635240 0.73 CCR5 (0.41) KMT2AHTTPLAUCCR5DYRK1A
SCHEMBL618186 0.71
SCHEMBL19692862 0.71 EPHX1 (0.32) KMT2AHTTPLAUKDM4EALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
EP-3055302-B1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-10-04 US disclosed
CN-105612153-B Substituted heterocyclic sulfonamide compound as TRPA1 conditioning agents 豪夫迈·罗氏有限公司 2018-09-14 CN disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 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
EP-3055302-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
CN-105612153-A Substituted sulfonamide compounds as TRPA1 conditioner HOFFMANN LA ROCHE 2016-05-25 CN 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-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 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 (6 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 KMT2A 3351/4885HTT 493/4885PKM 2690/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 KMT2A 3351/4885HTT 493/4885PKM 2690/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 KMT2A 3351/4885HTT 493/4885PKM 2690/4885
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 KMT2A 2838/4885HTT 1014/4885PKM 1844/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 KMT2A 3351/4885HTT 493/4885PKM 2690/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 KMT2A 3351/4885HTT 493/4885PKM 2690/4885

“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.