SCHEMBL6444232

SCHEMBL6444232

CC(C)(C)c1cc(-c2ccc[nH]c2=O)c2[nH]c(=O)c(-c3ccc(S)cc3)cc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
ATM Q13315 1/20 0.34
ERAP1 Q9NZ08 1/20 0.34
CYP3A4 P08684 3/20 0.32
GBA1 P04062 1/20 0.32
TNKS O95271 2/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 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
SCHEMBL1727256 0.90 TRPV1 (0.38) NPC1RAB9AATMERAP1CYP3A4
SCHEMBL6446484 0.89 ALK (0.34) NPC1RAB9AATMERAP1CYP3A4
SCHEMBL2695946 0.85 CA1 (0.40) CYP3A4TNKSALDH1A1CYP1A2HPGD
SCHEMBL13186432 0.85 NPC1 (0.38) NPC1RAB9AATMERAP1GBA1
SCHEMBL6445454 0.83 KMT2A (0.36) NPC1RAB9AATMERAP1CYP3A4
SCHEMBL2691334 0.83 CYP3A4 (0.50) CYP3A4ALDH1A1KDM4EHPGD
SCHEMBL10090581 0.82 ALK (0.36) NPC1RAB9AATMERAP1CYP3A4
SCHEMBL3077934 0.81 GPR84 (0.38) NPC1RAB9AATMERAP1ALDH1A1
SCHEMBL6440089 0.81 KDM4E (0.34) TNKSALDH1A1KDM4EGAAMETAP2
SCHEMBL2695274 0.80 PDE4A (0.41)

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-8168792-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-01 US disclosed
US-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ABBOT SARAH C 2010-09-09 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-20100226879-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, IFNAR1, RRM2B NPC1 2182/4885RAB9A 695/4885ATM 3346/4885

“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.