SCHEMBL3228902

SCHEMBL3228902

Oc1cc(C2CCCC2)nc(O)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.42
CTSK P43235 3/20 0.38
CTSS P25774 2/20 0.38
KMO O15229 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TLR8 Q9NR97 1/20 0.34
CDK1 P06493 3/20 0.34
CDK2 P24941 3/20 0.34
ABL1 P00519 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
SCHEMBL5750310 0.80 HRH4 (0.61) HRH4HRH3CDK1CDK2
SCHEMBL24309619 0.79 HRH4 (0.59) HRH4HRH3CDK1CDK2
SCHEMBL17376493 0.79 CHRM3 (0.40) HRH4CTSKCTSSKMOL3MBTL1
SCHEMBL3719255 0.76 HRH4 (0.56) HRH4HRH3CDK1CDK2
SCHEMBL7377363 0.76 SMN1; SMN2 (0.41) HRH3TLR8
SCHEMBL31003805 0.76 HRH4 (0.46) HRH4CTSKCTSSKMOL3MBTL1
SCHEMBL392696 0.72 HRH4 (0.33) HRH4CTSKCTSSTLR8
SCHEMBL15534661 0.72 KMO (0.45) HRH4KMOL3MBTL1ABL1
SCHEMBL10899837 0.71 POLB (0.34) HRH4
SCHEMBL10896284 0.71 POLB (0.34) HRH4

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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 HRH4 1793/4885CTSK 2142/4885CTSS 2110/4885

“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.