SCHEMBL5219759

SCHEMBL5219759

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccncc5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
SCN9A Q15858 1/20 0.36
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
HRH1 P35367 1/20 0.35
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMO Q99835 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5197401 0.94 ALDH1A1 (0.39) EGLN1SCN9APOLBTSHRHPGD
SCHEMBL5197342 0.93 HPGD (0.41) EGLN1SCN9APOLBTSHRHPGD
SCHEMBL5197220 0.93 HRH1 (0.41) EGLN1SCN9AHPGDHRH1PRKCA
SCHEMBL5196859 0.92 MAPT (0.39) EGLN1SCN9AHPGDPRKCAMMP12
SCHEMBL5197055 0.92 P2RY14 (0.39) EGLN1SCN9AHPGDPRKCAMMP12
SCHEMBL5198279 0.91 L3MBTL1 (0.44) POLBHPGDALDH1A1SMN1; SMN2
SCHEMBL5198332 0.91 KCNH2 (0.36) EGLN1SCN9AHPGDHRH1PRKCA
SCHEMBL5934946 0.91 DHODH (0.38) EGLN1SCN9A
SCHEMBL5196074 0.91 SCN9A (0.35) EGLN1SCN9AHPGDHRH1PRKCA
SCHEMBL5223590 0.90 SCN9A (0.37) TMEM97SIGMAR1EGLN1SCN9AHPGD

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
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
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 TMEM97 3701/4885SIGMAR1 3246/4885EGLN1 1090/4885

“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.