SCHEMBL23736192

SCHEMBL23736192

CCCc1nc(-c2ccc(Cl)cc2)[nH]c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.47
HEXB P07686 1/20 0.47
MAPK1 P28482 1/20 0.46
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
SMPD3 Q9NY59 1/20 0.44
NPY5R Q15761 1/20 0.43
GCGR P47871 2/20 0.43
CTSS P25774 2/20 0.42
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
HTT P42858 1/20 0.40
CCNB2 O95067 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
Oxalic Acid SCHEMBL31679107 0.92 SIRT2 (0.44) HEXAHEXBMAPK1MGAMGAA
SCHEMBL19350079 0.83 MAPK1 (0.49) MAPK1MGAMGAASIMGAM2
SCHEMBL8380776 0.82 MAPK1 (0.47) MAPK1MGAMGAASIMGAM2
SCHEMBL8380774 0.82 MAPK1 (0.47) MAPK1MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL8963881 0.82 MAPK1 (0.47) MAPK1MGAMGAASIMGAM2
SCHEMBL23736214 0.82 PIN1 (0.56) MGAMGAASIMGAM2SMPD3
SCHEMBL23736194 0.81 SMPD3 (0.51) GAASMPD3TNKSTNKS2CCNB2
Hydrochloric Acid SCHEMBL1436191 0.81 MAPK1 (0.46) MAPK1MGAMGAASIMGAM2
SCHEMBL13115340 0.79 MAPK13 (0.53) HEXAHEXBMAPK1MGAMGAA
SCHEMBL11601324 0.78 MAPK1 (0.44) MAPK1MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 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-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B HEXA 555/4885HEXB 305/4885MAPK1 2931/4885

“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.