SCHEMBL20445346

SCHEMBL20445346

Cc1cccc(-c2nc(C)c(-c3ccccc3)[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
NR1I3 Q14994 1/20 0.56
MAPK14 Q16539 10/20 0.54
PIN1 Q13526 1/20 0.54
CSNK1D P48730 5/20 0.49
CSNK1E P49674 5/20 0.49
NPBWR1 P48145 1/20 0.47
PTPN1 P18031 1/20 0.47
PBRM1 Q86U86 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11516210 0.86 MAPK13 (0.53) NPC1RAB9AMAPK14PIN1KDM4E
SCHEMBL14002078 0.85 MAPK14 (0.67) MAPK14CSNK1DCSNK1EPTPN1KDM4E
SCHEMBL20425689 0.84 GAA (0.58) MAPK14PIN1NPBWR1KDM4EALDH1A1
SCHEMBL23758282 0.83 GAA (0.58) NPC1RAB9AMAPK14KDM4EALDH1A1
Hydrochloric Acid SCHEMBL23736197 0.83 GAA (0.57) MAPK14PIN1NPBWR1KDM4EALDH1A1
SCHEMBL28460536 0.81 PIN1 (0.62) NPC1RAB9ANR1I3MAPK14PIN1
SCHEMBL20445314 0.80 MAPK14 (0.61) NPC1RAB9AMAPK14PIN1NPBWR1
SCHEMBL13830585 0.80 GAA (0.56) PTPN1KDM4EALDH1A1MAPT
SCHEMBL8313104 0.79 MEN1 (0.47) RAB9AMAPK14PTPN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL23736216 0.79 MAPK14 (0.60) NPC1RAB9AMAPK14PIN1NPBWR1

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
WO-2018140504-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS PATEL MANOJ K (US) 2018-08-02 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-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B NPC1 483/4885RAB9A 2068/4885NR1I3 1574/4885

“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.