SCHEMBL7944576

SCHEMBL7944576

O=C(Cl)C(=O)C1CNc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
F2 P00734 2/20 0.37
ACKR3 P25106 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
F12 P00748 2/20 0.33
PAX8 Q06710 1/20 0.33
EPHX2 P34913 1/20 0.32
HPGD P15428 1/20 0.31
HSPA1A P0DMV8 1/20 0.31
PTPN7 P35236 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13264880 0.84 ALDH1A1 (0.46) KCNH2ALDH1A1PRMT5WDR77F2
SCHEMBL24651223 0.83 KCNH2 (0.42) KCNH2ALDH1A1PRMT5WDR77F2
SCHEMBL27862075 0.82 ALDH1A1 (0.46) KCNH2ALDH1A1PRMT5WDR77F2
SCHEMBL3749720 0.80 ALDH1A1 (0.57) KCNH2ALDH1A1PRMT5WDR77F2
SCHEMBL5800011 0.80 ALDH1A1 (0.57) KCNH2ALDH1A1PRMT5WDR77F2
SCHEMBL859610 0.79 KCNH2 (0.44) KCNH2ALDH1A1PRMT5WDR77F2
Hydrochloric Acid SCHEMBL28270652 0.79 ALDH1A1 (0.56) KCNH2ALDH1A1PRMT5WDR77F2
SCHEMBL29892593 0.79 KCNH2 (0.44) KCNH2ALDH1A1PRMT5WDR77F2
Hydrochloric Acid SCHEMBL28797396 0.79 ALDH1A1 (0.56) KCNH2ALDH1A1PRMT5WDR77F2
Hydrochloric Acid SCHEMBL29893284 0.77 KCNH2 (0.43) KCNH2ALDH1A1PRMT5WDR77F2

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
WO-2022246907-A1 COMPOUND CONTAINING 2,4-THIAZOLE RING, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 山东大学 2022-12-01 WO disclosed
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed
US-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-04-24 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 (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-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES IDO1, IDO2, INMT KCNH2 1977/4885ALDH1A1 2096/4885PRMT5 98/4885

“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.