SCHEMBL3227553

SCHEMBL3227553

CN(c1nc(Nc2ccc(C3(C(=O)O)CCC3)cc2)cc(-c2ccccc2)n1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TP53 P04637 4/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
AKR1C1 Q04828 1/20 0.38
THRB P10828 1/20 0.38
ADORA1 P30542 4/20 0.37
AGPAT2 O15120 1/20 0.37
VCP P55072 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PTGDR Q13258 1/20 0.35
TACR3 P29371 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL13309691 0.92 MAPT (0.43) MAPTTP53LMNAPOLBTHRB
SCHEMBL3233798 0.83 VCP (0.43) MAPTTP53LMNAPOLBAKR1C1
SCHEMBL3227614 0.83 MAPT (0.39) MAPTTP53LMNAPOLBTHRB
SCHEMBL3233758 0.82 ADORA1 (0.39) AKR1C1ADORA1TACR3ADORA3ADORA2A
SCHEMBL3227546 0.82 VCP (0.48) MAPTTP53LMNAPOLBAKR1C1
SCHEMBL3229102 0.79 ADORA3 (0.49) MAPTADORA1ABCG2ADORA3ADORA2A
SCHEMBL3234022 0.79 SYK (0.42) MAPTTP53LMNAPOLBAKR1C1
SCHEMBL3230202 0.78 MAPT (0.48) MAPTTP53LMNATHRBADORA1
SCHEMBL3227518 0.78 MAPT (0.48) MAPTTP53LMNAPOLBAKR1C1
SCHEMBL3261619 0.78 VCP (0.42) MAPTAKR1C1ADORA1VCPPTGDR

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 7 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 claimed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO claimed
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
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.