SCHEMBL29304151

SCHEMBL29304151

Nc1nc2ccc(OCC3CCCC3)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.62
TP53 P04637 3/20 0.62
HSD17B10 Q99714 2/20 0.62
ALDH1A1 P00352 1/20 0.62
TSHR P16473 1/20 0.62
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 1/20 0.55
CYP2D6 P10635 1/20 0.52
RAB9A P51151 6/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
GAA P10253 2/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL29304008 0.81 ACACB (0.48) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL23720037 0.80 NPC1 (0.57) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL31683908 0.80 NPC1 (0.57) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL21186301 0.79 CYP3A4 (0.59) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL22131688 0.78 ACACB (0.56) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL22131946 0.78 ACACB (0.60) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL21186298 0.78 CYP3A4 (0.57) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL233589 0.77 CYP3A4 (1.00) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL22131779 0.76 ACACB (0.59) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL22131748 0.76 ACACB (0.58) CYP3A4TP53HSD17B10ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
WO-2023028077-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2023-03-02 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-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C CYP3A4 1326/4885TP53 4791/4885HSD17B10 1589/4885

“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.