SCHEMBL846472

SCHEMBL846472

CN1CCC[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 3/20 0.60
PARP1 P09874 4/20 0.52
HSP90AA1 P07900 1/20 0.51
ESR2 Q92731 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
USP30 Q70CQ3 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 3/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
APEX1 P27695 1/20 0.43

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
SCHEMBL10201545 0.82 CHEK2 (0.50) HCRTR1HCRTR2
SCHEMBL15585667 0.81 NPC1 (0.60) MLLT1PARP1USP30HCRTR1HCRTR2
SCHEMBL12061793 0.81 NPC1 (0.60) MLLT1PARP1USP30HCRTR1HCRTR2
SCHEMBL15586055 0.80 CDC7 (0.53) MLLT1PARP1USP30HCRTR1HCRTR2
SCHEMBL12890049 0.77 PARP1 (0.57) PARP1
SCHEMBL663560 0.77 PARP1 (0.57) PARP1
SCHEMBL665549 0.77 PARP1 (0.57) PARP1
SCHEMBL29999598 0.76 HTR2B (0.55) PARP1HSP90AA1ESR2TDP1
SCHEMBL27172414 0.76 HTR2B (0.55) PARP1HSP90AA1ESR2TDP1
SCHEMBL13242461 0.75 KDM4E (0.49) MLLT1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 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-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS MLLT1 3921/4885PARP1 4516/4885HSP90AA1 184/4885

“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.