SCHEMBL20031318

SCHEMBL20031318

CC(O)c1cccnc1C(C)(C)I

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL15927345 0.85 ALDH1A1 (0.34) GABRA1GABRB2SLC40A1ALDH1A1L3MBTL1
SCHEMBL17679294 0.85 ALDH1A1 (0.34) GABRA1GABRB2SLC40A1ALDH1A1L3MBTL1
SCHEMBL31085176 0.80 PDE2A (0.39) GABRA1GABRB2ALDH1A1L3MBTL1
SCHEMBL23489771 0.80 PDE2A (0.39) GABRA1GABRB2ALDH1A1L3MBTL1
SCHEMBL13713003 0.71 GABRA1 (0.41) GABRA1GABRB2SLC40A1ALDH1A1L3MBTL1
SCHEMBL15927758 0.71 P2RX7 (0.39) GABRA1GABRB2SLC40A1L3MBTL1HIF1A
SCHEMBL24113945 0.71 P2RX7 (0.39) GABRA1GABRB2SLC40A1L3MBTL1HIF1A
SCHEMBL23489779 0.71 P2RX7 (0.39) GABRA1GABRB2SLC40A1L3MBTL1HIF1A
SCHEMBL5698980 0.71 P2RX7 (0.39) GABRA1GABRB2SLC40A1L3MBTL1HIF1A
SCHEMBL24866880 0.69 CA2 (0.37) GABRA1GABRB2ALDH1A1L3MBTL1

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-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2018-04-05 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-20180094010-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP11 GABRA1 3965/4885GABRB2 3979/4885SLC40A1 4020/4885

“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.