SCHEMBL6826431

SCHEMBL6826431

FC(F)(F)COc1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
THRB P10828 1/20 0.40
G6PD P11413 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC1 Q13547 1/20 0.38

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
Hydrochloric Acid SCHEMBL8468120 0.98 MEN1 (0.40) MEN1KMT2AL3MBTL1LMNATSHR
SCHEMBL31729647 0.84 MEN1 (0.40) MEN1KMT2AL3MBTL1LMNATSHR
SCHEMBL1555445 0.78 MEN1 (0.39) MEN1KMT2AL3MBTL1LMNATSHR
SCHEMBL26654252 0.78 DGAT1 (0.41) MEN1KMT2AL3MBTL1LMNATSHR
SCHEMBL28011844 0.78 CFTR (0.47) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL3698077 0.78 HDAC1 (0.32) MEN1KMT2AL3MBTL1LMNATDP1
SCHEMBL17114828 0.76 MEN1 (0.38) MEN1KMT2AL3MBTL1LMNATSHR
SCHEMBL28867958 0.76 MEN1 (0.57) MEN1KMT2AL3MBTL1LMNATSHR
SCHEMBL14375560 0.75 NUDT1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2RXRA
SCHEMBL25164045 0.75 RXRA (0.40) MEN1KMT2AL3MBTL1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246932-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-07-25 US claimed
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use AMGEN INC. (US) 2025-11-18 US disclosed
EP-4522599-A1 METHODS OF MANUFACTURING PYRIDAZINONE COMPOUNDS EDGEWISE THERAPEUTICS, INC. (US) 2025-03-19 EP disclosed
WO-2023220180-A1 METHODS OF MANUFACTURING PYRIDAZINONE COMPOUNDS EDGEWISE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
EP-4149466-A1 SUBSTITUTED PYRIDAZINONE FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. (US) 2023-03-22 EP disclosed
US-11312706-B2 Cyclohexyl acid pyrazole azines as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-26 US disclosed
CN-112638373-A Cyclin-dependent kinase inhibitors 金耐特生物制药公司 2021-04-09 CN disclosed
CN-107001259-A Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2017-08-01 CN disclosed
CN-106661043-A 2-oxa-5-azabicyclo[2.2.1]heptan-3-yl derivatives 豪夫迈·罗氏有限公司 2017-05-10 CN disclosed
WO-2004111000-A2 PIPERIDYL DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS ASTELLAS PHARMA INC. (JP) 2004-12-23 WO disclosed
EP-0660827-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY. ZENECA LTD (GB) 1995-07-05 EP disclosed
WO-1994006777-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY ZENECA LIMITED (GB) 1994-03-31 WO disclosed
US-4704159-A PRE- AND POSTERMERGENCE IN CORN E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-03 US disclosed
US-4609398-A PRE- AND POSTEMERGENT CONTROL OF WEEDS IN CORN E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-09-02 US 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 (3 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-20240246932-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS TRPV1, SCN8A, SCN2A MEN1 4489/4885KMT2A 1754/4885L3MBTL1 4098/4885
US-12473289-B2 Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use SCD5, SCD, FADS2 MEN1 3962/4885KMT2A 3001/4885L3MBTL1 2792/4885
US-11312706-B2 Cyclohexyl acid pyrazole azines as LPA antagonists LPAR3, LPAR1, LPAR2 MEN1 3193/4885KMT2A 2889/4885L3MBTL1 4374/4885

“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.