SCHEMBL26501474

SCHEMBL26501474

CCC(C)c1ccc(NC(=O)N2CCN(c3ccc(C)cn3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 11/20 0.80
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
POLB P06746 1/20 0.58
TRPV1 Q8NER1 1/20 0.57
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
P2RY12 Q9H244 2/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL19748515 0.89 PANK3 (1.00) PANK3TRPV1MAPTKDM4EALDH1A1
SCHEMBL26502492 0.86 PANK3 (0.82) PANK3NPC1RAB9APOLBTRPV1
SCHEMBL19748697 0.86 PANK3 (0.81) PANK3MEN1NPC1RAB9AKMT2A
SCHEMBL26501498 0.85 PANK3 (0.92) PANK3TRPV1MAPTKDM4EALDH1A1
SCHEMBL26502512 0.84 PANK3 (0.72) PANK3NPC1RAB9AKMT2AMAPT
SCHEMBL26501605 0.84 PANK3 (0.63) PANK3MEN1NPC1RAB9AKMT2A
SCHEMBL22601219 0.83 PANK3 (0.77) PANK3TRPV1MAPTKDM4EALDH1A1
SCHEMBL26502500 0.82 PANK3 (0.79) PANK3TRPV1MAPTKDM4EALDH1A1
SCHEMBL26502501 0.82 PANK3 (0.75) PANK3NPC1RAB9ATRPV1MAPT
SCHEMBL13115802 0.82 PANK3 (0.74) PANK3MAPTKDM4EALDH1A1P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885MEN1 2263/4885NPC1 189/4885

“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.