SCHEMBL4875350

SCHEMBL4875350

COc1ccc(F)c(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCCC4C)ccc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FFAR1 O14842 1/20 0.32
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PREP P48147 1/20 0.31
MAPT P10636 2/20 0.31
BRD4 O60885 1/20 0.31
SCD5 Q86SK9 2/20 0.31
SCD O00767 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 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
SCHEMBL4868703 0.91 BRD4 (0.37) RAB9ATP53ALDH1A1HPGDHSD17B10
SCHEMBL4867702 0.90 FFAR1 (0.33) NPC1RAB9AALDH1A1HPGDFFAR1
SCHEMBL4875364 0.90 TP53 (0.34) NPC1RAB9ATP53ALDH1A1HPGD
SCHEMBL4865027 0.89 MAPT (0.33) ALDH1A1HPGDKCNH2HRH3MAPT
SCHEMBL4874576 0.89 MAPT (0.37) ALDH1A1HPGDKCNH2HRH3MAPT
SCHEMBL4878059 0.88 KDM4E (0.38) RAB9ATP53ALDH1A1HPGDHSD17B10
SCHEMBL4876060 0.88 ALDH1A1 (0.40) NPC1RAB9AALDH1A1HPGDKCNH2
SCHEMBL4870887 0.86 CBX7 (0.37) ALDH1A1MAPTBRD4
SCHEMBL4876386 0.85 MAPT (0.35) RAB9ATP53ALDH1A1HPGDHSD17B10
SCHEMBL4878273 0.85 KCNH2 (0.34) ALDH1A1HPGDKCNH2HRH3MAPT

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 NPC1 679/4885RAB9A 1055/4885TP53 3049/4885

“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.