SCHEMBL3229728

SCHEMBL3229728

COC(=O)C1(c2ccc(Nc3cc(-c4ccccc4)nc(Cl)n3)cc2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
TP53 P04637 6/20 0.48
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
AGPAT2 O15120 1/20 0.43
AKT1 P31749 2/20 0.42
THRB P10828 1/20 0.41
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
VCP P55072 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTGDR Q13258 1/20 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
SCHEMBL3238429 0.86 MAPT (0.47) MAPTTP53LMNAPOLBTHRB
SCHEMBL3228961 0.86 MAPT (0.47) MAPTTP53LMNAPOLBAKT1
SCHEMBL3268108 0.84 MAPT (0.43) MAPTTP53LMNAPOLBAGPAT2
SCHEMBL3232908 0.84 MAPT (0.48) MAPTTP53LMNAPOLBCA12
SCHEMBL13309691 0.84 MAPT (0.43) MAPTTP53LMNAPOLBAGPAT2
SCHEMBL3227596 0.83 AKT1 (0.42) MAPTTP53LMNAPOLBAKT1
SCHEMBL3229538 0.83 MAPT (0.46) MAPTTP53LMNAPOLBAKT1
SCHEMBL3220901 0.82 PIK3CA (0.46) MAPTTP53LMNAPOLBAKT1
SCHEMBL3220962 0.82 PIK3CA (0.58) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL3237814 0.82 MAPT (0.35) MAPTTP53LMNAAGPAT2AKT1

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 4 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
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
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 MAPT 4861/4885TP53 943/4885LMNA 4521/4885

“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.