SCHEMBL18172012

SCHEMBL18172012

Nc1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
THRB P10828 1/20 0.41
G6PD P11413 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MPO P05164 1/20 0.41
TPO P07202 1/20 0.41
EPX P11678 1/20 0.41
LPO P22079 1/20 0.41
CDK8 P49336 4/20 0.39
CDK7 P50613 1/20 0.39

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
SCHEMBL28749827 0.82 HTT (0.43) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL29706051 0.82 HTT (0.43) ALDH1A1MAPTMEN1USP2KMT2A
SCHEMBL507036 0.78 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL30699249 0.78 KDM4E (0.40) KDM4EHSD17B10MPOTPOEPX
SCHEMBL625665 0.78 KDM4E (0.40) KDM4EHSD17B10MPOTPOEPX
SCHEMBL23634063 0.77 NCF1 (0.47) ALDH1A1MAPTMPOTPOEPX
SCHEMBL506299 0.77 CHRNB2 (0.42) ALDH1A1MAPTKMT2ACACNA1GCACNA1H
SCHEMBL17099993 0.77 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1KDM4EPIK3CD
SCHEMBL29700311 0.77 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1KDM4EPIK3CD
SCHEMBL11183436 0.76 MAOB (0.67)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114552005-A Electrolyte and application thereof 湖北亿纬动力有限公司 2022-05-27 CN claimed
US-12384773-B2 Thiazole compounds and methods of use thereof ARCUS BIOSCIENCES, INC. (US) 2025-08-12 US disclosed
US-20250145606-A1 THIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2025-05-08 US disclosed
WO-2025096979-A1 THIAZOLE COMPOUNDS AS KIT INHIBITORS AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2025-05-08 WO disclosed
CN-113754679-B Substituted pyrimidinediones and their use 广东东阳光药业有限公司 2023-04-07 CN disclosed
US-20230027929-A1 MrgprX2 Antagonists and Uses Thereof DERMIRA, INC. 2023-01-26 US disclosed
EP-4054570-A1 MRGPRX2 ANTAGONISTS AND USES THEREOF Dermira, Inc (US) 2022-09-14 EP disclosed
CN-114901280-A MrgprX2 antagonists and uses thereof 德米拉公司 2022-08-12 CN disclosed
CN-114552005-A Electrolyte and application thereof 湖北亿纬动力有限公司 2022-05-27 CN disclosed
CN-113754679-A Substituted pyrimidinediones and their use 广东东阳光药业有限公司 2021-12-07 CN disclosed
US-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2018-04-19 US disclosed
EP-3286178-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS Almirall S.A. (ES) 2018-02-28 EP disclosed
WO-2016170009-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2016-10-27 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 (4 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-12384773-B2 Thiazole compounds and methods of use thereof TPMT, CYP11B2, ABAT ALDH1A1 198/4885MAPT 1247/4885L3MBTL1 1803/4885
US-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN7A, SCN1A, SCN1B ALDH1A1 1764/4885MAPT 3214/4885L3MBTL1 4234/4885
US-20250145606-A1 THIAZOLE COMPOUNDS AND METHODS OF USE THEREOF TPMT, CYP11B2, ABAT ALDH1A1 198/4885MAPT 1247/4885L3MBTL1 1803/4885
US-20230027929-A1 MrgprX2 Antagonists and Uses Thereof MRGPRX2, MRGPRX1, MRGPRX4 ALDH1A1 2645/4885MAPT 4178/4885L3MBTL1 4533/4885

“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.