SCHEMBL5297528

SCHEMBL5297528

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cc([N+](=O)[O-])c4nc(-c5sc(C)nc5C)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
SCN9A Q15858 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.33
THRB P10828 1/20 0.32
HPGD P15428 2/20 0.32
NR1I2 O75469 1/20 0.32
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL5934800 0.94 SCN9A (0.34) LMNASCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL5224042 0.91 SCN9A (0.35) LMNASCN9AALDH1A1MAPTHPGD
SCHEMBL5228362 0.91 SCN9A (0.35) LMNASCN9AALDH1A1MAPTHPGD
SCHEMBL5197809 0.87 SCN9A (0.36) LMNASCN9AALDH1A1HPGDNR1I2
SCHEMBL5225807 0.84 SCN9A (0.35) SCN9AMAPTNR1I2
SCHEMBL5934856 0.84 SCN9A (0.35) SCN9AALDH1A1MAPTNR1I2
SCHEMBL5196795 0.84 SCN9A (0.35) SCN9ANR1I2
SCHEMBL5196593 0.80 KCNH2 (0.37) SCN9ANR1I2
SCHEMBL5198484 0.80 KCNH2 (0.37) SCN9AMAPTNR1I2
SCHEMBL5934559 0.80 KCNH2 (0.37) SCN9ANR1I2

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
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 LMNA 1202/4885SCN9A 4015/4885NPC1 153/4885

“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.