SCHEMBL22272452

SCHEMBL22272452

CC1(C)OCC(c2ccccn2)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
BLM P54132 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37
CPB1 P15086 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NPC1 O15118 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
SCHEMBL15630939 0.79 KMT2A (0.38) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL24708109 0.76 ASIC3 (0.33) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL30001898 0.76 ASIC3 (0.33) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL30001065 0.76 ASIC3 (0.33) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL29187030 0.76 ASIC3 (0.33) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL30000690 0.76 ASIC3 (0.33) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
Ammonia Solution, Strong SCHEMBL1062274 0.75 TBXAS1 (0.31)
SCHEMBL9922751 0.75 KDM4E (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2TP53
SCHEMBL805860 0.74
SCHEMBL24696834 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347033-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
WO-2022256842-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
US-10919872-B2 Method for producing 2-alkylcarbonylnaphtho[2,3-b]furan-4,9-dione-related substance, and said related substance SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-02-16 US disclosed
US-20200239424-A1 METHOD FOR PRODUCING 2-ALKYLCARBONYLNAPHTHO[2,3-b]FURAN-4,9-DIONE-RELATED SUBSTANCE, AND SAID RELATED SUBSTANCE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-30 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 (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-20200239424-A1 METHOD FOR PRODUCING 2-ALKYLCARBONYLNAPHTHO[2,3-b]FURAN-4,9-DIONE-RELATED SUBSTANCE, AND SAID RELATED SUBSTANCE ADH1C, ADH5, ADH1A KMT2A 1756/4885ALDH1A1 10/4885MAPT 4210/4885
US-10919872-B2 Method for producing 2-alkylcarbonylnaphtho[2,3-b]furan-4,9-dione-related substance, and said related substance ADH1C, ADH5, ADH1A KMT2A 1756/4885ALDH1A1 10/4885MAPT 4210/4885

“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.