SCHEMBL5197236

SCHEMBL5197236

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccccn5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.39
METAP1 P53582 2/20 0.37
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
GRIN2B Q13224 1/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2C9 P11712 3/20 0.36
NR1I2 O75469 1/20 0.36
CYP2D6 P10635 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
SCN9A Q15858 1/20 0.36
SMO Q99835 1/20 0.36
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HIF1A Q16665 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL5197401 0.92 ALDH1A1 (0.39) PRKCAMMP12GRIN2BCYP3A4CYP2C19
SCHEMBL5197163 0.92 SCN9A (0.37) PRKCAMMP12GRIN2BNR1I2BRD4
SCHEMBL5223590 0.91 SCN9A (0.37) TMEM97PRKCAMMP12GRIN2BCYP3A4
SCHEMBL5219759 0.90 TMEM97 (0.37) TMEM97PRKCAMMP12CYP3A4CYP2C19
SCHEMBL5196859 0.89 MAPT (0.39) PRKCAMMP12GRIN2BCYP2C9NR1I2
SCHEMBL5196861 0.88 GRIN2B (0.39) PRKCAMMP12GRIN2BCYP3A4CYP2C19
SCHEMBL5196756 0.88 PRKCA (0.39) PRKCAMMP12GRIN2BCYP3A4CYP2C19
SCHEMBL5197903 0.88 PRKCA (0.41) PRKCAMMP12GRIN2BCYP3A4CYP2C19
SCHEMBL5197220 0.88 HRH1 (0.41) PRKCAMMP12GRIN2BSCN9AALDH1A1
SCHEMBL5197342 0.88 HPGD (0.41) PRKCAMMP12GRIN2BNR1I2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO claimed
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN disclosed
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 TMEM97 3701/4885METAP1 1605/4885PRKCA 4500/4885

“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.