SCHEMBL9973906

SCHEMBL9973906

CCN1Cc2c(N)ccc(Cl)c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
PNMT P11086 1/20 0.35
HSP90AB1 P08238 1/20 0.34
POLB P06746 1/20 0.34
LIPG Q9Y5X9 3/20 0.34
IDH1 O75874 2/20 0.32
P2RX7 Q99572 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
BACE1 P56817 1/20 0.31
PPOX P50336 1/20 0.31
PDE5A O76074 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL9935659 0.81 PARP1 (0.46) IDH1KDM4EALDH1A1
SCHEMBL9973904 0.78 HSP90AB1 (0.34) HSP90AB1POLBLIPGPPOXPDE5A
SCHEMBL18885945 0.76 HTT (0.43) ADORA2APNMTPOLBALDH1A1LMNA
SCHEMBL7950747 0.75 ADORA2A (0.39) ADORA2AIDH1P2RX7BACE1PPOX
SCHEMBL9973905 0.75 IDH1 (0.39) PNMTPOLBLIPGIDH1KDM4E
SCHEMBL9934244 0.73 ADORA2A (0.35) ADORA2A
SCHEMBL805487 0.71 PARP1 (0.47) P2RX7HTR2AHTR2CHTR2BALDH1A1
SCHEMBL1949749 0.71 BRD4 (0.44) ADORA2AIDH1KDM4EALDH1A1MEN1
SCHEMBL20450049 0.69 PDE5A (0.38) POLBLIPGIDH1P2RX7PDE5A
SCHEMBL24469641 0.69 PARP1 (0.38) ADORA2AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157494-A1 ISOINDOLYL COMPOUNDS HARRIS III RALPH NEW (US) 2012-06-21 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-20120157494-A1 ISOINDOLYL COMPOUNDS P2RX7, P2RX3, P2RX1 ADORA2A 18/4885PNMT 2536/4885HSP90AB1 1958/4885

“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.