SCHEMBL3227614

SCHEMBL3227614

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
TP53 P04637 5/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.36
AGPAT2 O15120 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
VCP P55072 1/20 0.32
ADORA1 P30542 2/20 0.32
SYK P43405 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
NPC1 O15118 1/20 0.31
GBA1 P04062 1/20 0.31

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
SCHEMBL3233801 0.84 MAPT (0.40) MAPTTP53LMNAPOLBTHRB
SCHEMBL3233767 0.83 PTGS2 (0.34) MAPTTP53LMNAPOLBKDM4E
SCHEMBL3227553 0.83 MAPT (0.41) MAPTTP53LMNAPOLBTHRB
SCHEMBL13309691 0.82 MAPT (0.43) MAPTTP53LMNAPOLBTHRB
SCHEMBL3422029 0.80 IDH2 (0.38) MAPTTP53LMNAPOLBTHRB
SCHEMBL3235616 0.79 SYK (0.40) MAPTTP53LMNAPOLBTHRB
SCHEMBL3266663 0.78 IDH2 (0.38) MAPTTP53LMNAPOLBTHRB
SCHEMBL3234454 0.78 PTGS2 (0.43) MAPTTP53LMNAPOLBABCG2
SCHEMBL3264141 0.78 ABCG2 (0.41) ABCG2MEN1KMT2ANPC1GBA1
SCHEMBL3228762 0.76 KDM1A (0.41) MAPTTP53LMNAPOLBABCG2

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 3 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

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.