SCHEMBL3496295

SCHEMBL3496295

Cc1ccn2c(Cl)c(C[C@@H]3CCCCN3C(=O)O)nc2n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
DAGLA Q9Y4D2 6/20 0.34
ADORA3 P0DMS8 2/20 0.33
HPGD P15428 1/20 0.33
ADORA2A P29274 1/20 0.33
ABHD6 Q9BV23 5/20 0.33
GRM5 P41594 3/20 0.33
HCRTR2 O43614 1/20 0.33
REN P00797 1/20 0.33

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
SCHEMBL311516 0.86 PDE8B (0.40) GRM5HCRTR2
SCHEMBL311133 0.81 HCRTR1 (0.54) HCRTR2
SCHEMBL4167405 0.80 ALDH1A1 (0.38) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL3251052 0.76 PDE8B (0.38) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL4167672 0.76 RHOC (0.38) DAGLAABHD6
SCHEMBL4167801 0.74 DAGLA (0.38) DAGLAABHD6
SCHEMBL4159081 0.72 KDM4E (0.42) TDP1NPC1RAB9AKMT2AMEN1
SCHEMBL3470606 0.71 ALDH1A1 (0.39) NPC1RAB9AKMT2AMEN1DAGLA
SCHEMBL4163254 0.69 DPP4 (0.39) NPC1RAB9AKMT2AMEN1DAGLA
SCHEMBL3472074 0.69 SMN1; SMN2 (0.38) NPC1RAB9AKMT2AMEN1DAGLA

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-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 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-20100160344-A1 NOVEL COMPOUNDS BRD4, HDAC6, ENTPD5 TDP1 2077/4885NPC1 255/4885RAB9A 612/4885

“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.