SCHEMBL5196408

SCHEMBL5196408

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccccc5C(F)(F)F)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
MTOR P42345 1/20 0.39
RORC P51449 1/20 0.37
NR1I2 O75469 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
HRH1 P35367 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
SMO Q99835 2/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL5196861 0.91 GRIN2B (0.39) PRKCAMMP12MTORNR1I2CYP3A4
SCHEMBL5197903 0.90 PRKCA (0.41) PRKCAMMP12NR1I2CYP3A4CYP2C19
SCHEMBL5196756 0.90 PRKCA (0.39) PRKCAMMP12NR1I2CYP3A4CYP2C19
SCHEMBL5197401 0.90 ALDH1A1 (0.39) PRKCAMMP12NR1I2CYP3A4CYP2C19
SCHEMBL5197055 0.89 P2RY14 (0.39) PRKCAMMP12MTORUSP2TP53
SCHEMBL5198500 0.88 LMNA (0.42) PRKCAMMP12MTORRORCHRH1
SCHEMBL5315052 0.88 PRKCA (0.39) PRKCAMMP12NR1I2CYP3A4USP2
SCHEMBL5216604 0.88 PRKCA (0.36) PRKCAMMP12NR1I2CYP3A4CYP2C19
SCHEMBL5197220 0.87 HRH1 (0.41) PRKCAMMP12CYP11B2HRH1ALDH1A1
SCHEMBL5197236 0.87 TMEM97 (0.39) PRKCAMMP12NR1I2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
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 PRKCA 4500/4885MMP12 4114/4885MTOR 3025/4885

“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.