SCHEMBL2066099

SCHEMBL2066099

O=C(O)N1C(c2nc3c([nH]2)-c2ccc(Br)cc2CC3)CC2CC21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.39
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
SLC11A2 P49281 1/20 0.31
PTAFR P25105 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
SCHEMBL883262 0.86 TYMS (0.35) TYMSSRD5A1SRD5A2
SCHEMBL2065597 0.86 TYMS (0.35) TYMSSRD5A1SRD5A2
SCHEMBL13746544 0.86 TYMS (0.35) TYMSSRD5A1SRD5A2
SCHEMBL2065596 0.86 TYMS (0.35) TYMSSRD5A1SRD5A2
SCHEMBL3425525 0.85 HTR2C (0.36) TYMSSRD5A1SRD5A2
SCHEMBL10201478 0.85 HTR2C (0.36) TYMSSRD5A1SRD5A2
SCHEMBL10232542 0.85 HTR2C (0.36) TYMSSRD5A1SRD5A2
SCHEMBL13747270 0.85 HTR2C (0.36) TYMSSRD5A1SRD5A2
SCHEMBL10182594 0.83 TYMS (0.39) TYMSSRD5A1SRD5A2PARP10PARP11
SCHEMBL750120 0.78 HCRTR1 (0.41) TYMSSRD5A1SRD5A2

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-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 EP disclosed
US-8147818-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TYMS 2963/4885SRD5A1 2359/4885SRD5A2 2426/4885

“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.