SCHEMBL5315233

SCHEMBL5315233

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc(-c4ccc5cc(Br)ccc5n4)cc3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
ATM Q13315 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
HPGD P15428 1/20 0.35
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
LMNA P02545 2/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
SMO Q99835 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HIF1A Q16665 1/20 0.34
HRH1 P35367 1/20 0.34
NR1I2 O75469 1/20 0.33
ACP1 P24666 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL5220936 0.92 POLB (0.37) EGLN1KMT2ASCN9APRKCAMMP12
SCHEMBL5197401 0.91 ALDH1A1 (0.39) EGLN1SCN9AHPGDPRKCAMMP12
SCHEMBL5198611 0.91 SMO (0.42) PRKCAMMP12LMNABRD4CREBBP
SCHEMBL5197342 0.90 HPGD (0.41) EGLN1SCN9AHPGDPRKCAMMP12
SCHEMBL5219759 0.90 TMEM97 (0.37) EGLN1SCN9AHPGDPRKCAMMP12
SCHEMBL5197220 0.90 HRH1 (0.41) EGLN1KMT2ASCN9AHPGDPRKCA
SCHEMBL5197501 0.88 EGLN1 (0.34) EGLN1SCN9AHPGDPRKCAMMP12
SCHEMBL5197055 0.88 P2RY14 (0.39) EGLN1SCN9AHPGDPRKCAMMP12
SCHEMBL5198279 0.88 L3MBTL1 (0.44) KMT2AHPGDLMNAMAPTALDH1A1
SCHEMBL5197025 0.87 BRD4 (0.36) EGLN1SCN9APRKCAMMP12LMNA

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 5 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
WO-2007027477-A2 TREATING VULVODYNIA USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2007-03-08 WO 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 RXFP1 4873/4885ATM 4213/4885EGLN1 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.