SCHEMBL142186

SCHEMBL142186

O=C(NC1(c2nc3ncccc3[nH]2)CC1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.44
PDE5A O76074 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
DAGLA Q9Y4D2 1/20 0.43
PKM P14618 1/20 0.41
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
TP53 P04637 1/20 0.40
SMO Q99835 1/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
CTSK P43235 2/20 0.38

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
SCHEMBL146703 0.80 POLB (0.44) CTSSCTSLCTSBPOLBKMT2A
SCHEMBL13465239 0.76 HCAR2 (0.49) PRMT5PDE5APDE4APDE4BPDE4C
SCHEMBL2395204 0.74 CTSB (0.47) CTSSCTSLCTSBPOLBCTSK
SCHEMBL12259705 0.73 ALDH1A1 (0.40) CTSSCTSLCTSBPOLBGAA
SCHEMBL2389829 0.73 CTSS (0.45) CTSSCTSLCTSBPOLBGAA
SCHEMBL2394757 0.73 CTSS (0.45) CTSSCTSLCTSBPOLBGAA
SCHEMBL2391134 0.72 CTSS (0.42) CTSSCTSLCTSBPOLBGAA
SCHEMBL21760459 0.71 CTSL (0.45) CTSSCTSLCTSBPOLB
SCHEMBL16545238 0.70 ALDH1A1 (0.45) CTSSCTSLCTSBPOLBKMT2A
SCHEMBL14705997 0.69 P2RX7 (0.47) CTSSCTSLCTSBTP53POLB

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-8354410-B2 Compounds for the treatment of hepatitis C BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20120059019-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120059019-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PRMT5 2870/4885PDE5A 2746/4885PDE4A 3290/4885

“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.