SCHEMBL21835735

SCHEMBL21835735

Cc1cc(OCc2ccccc2)c(F)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MRGPRX4 Q96LA9 2/20 0.38
▸ S1PR5 Q9H228 1/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM1A O60341 5/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ GRM2 Q14416 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PPARD Q03181 1/20 0.35

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
SCHEMBL29653247 1.00 DGAT1 (0.41) DGAT1L3MBTL1MAPTMAPK1TDP1
SCHEMBL29652976 0.87 UCHL1 (0.41) DGAT1NPC1
SCHEMBL24456583 0.87 UCHL1 (0.41) DGAT1NPC1
SCHEMBL30746198 0.86 EGFR (0.42) DGAT1MAPK1MRGPRX4HTTSMN1; SMN2
SCHEMBL27262838 0.86 EGFR (0.42) DGAT1MAPK1MRGPRX4HTTSMN1; SMN2
SCHEMBL29652912 0.85 DGAT1 (0.40) DGAT1L3MBTL1MAPTMAPK1TDP1
SCHEMBL17258894 0.85 DGAT1 (0.40) DGAT1L3MBTL1MAPTMAPK1TDP1
SCHEMBL21835741 0.85 MRGPRX4 (0.45) DGAT1L3MBTL1MAPTMAPK1TDP1
SCHEMBL30809615 0.85 MRGPRX4 (0.45) DGAT1L3MBTL1MAPTMAPK1TDP1
SCHEMBL25723319 0.85 CHRNA7 (0.42) DGAT1L3MBTL1MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 — — WO disclosed
US-20210403476-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. 2021-12-30 — — US disclosed
CN-113573713-A Ion channel modulators 普拉克西斯精密药物股份有限公司 2021-10-29 — — CN disclosed
EP-3856193-A1 ION CHANNEL MODULATORS Praxis Precision Medicines, Inc. (US) 2021-08-04 — — EP disclosed
WO-2020069322-A1 ION CHANNEL MODULATORS PRAXIS PRECISION MEDICINES, INC. (US) 2020-04-02 — — 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 (1 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-20210403476-A1 ION CHANNEL MODULATORS SCN1A, SCN3A, SCN2A DGAT1 596/4885L3MBTL1 572/4885MAPT 662/4885

“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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