SCHEMBL3229538

SCHEMBL3229538

COC(=O)C1(c2ccc(Nc3cc(-c4ccccc4)nc(-c4ccc(C)nc4)n3)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
AKT1 P31749 1/20 0.44
TP53 P04637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
GBA1 P04062 2/20 0.43
IDO1 P14902 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ABCG2 Q9UNQ0 4/20 0.41
RAB9A P51151 1/20 0.40
ADORA2A P29274 5/20 0.40
ADORA1 P30542 5/20 0.40
ADORA3 P0DMS8 5/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ABCB1 P08183 2/20 0.39
ABCC1 P33527 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL3226049 0.93 IDO1 (0.44) MAPTTP53MEN1KMT2ANPC1
SCHEMBL13309712 0.92 IDO1 (0.43) MAPTTP53MEN1KMT2ANPC1
SCHEMBL3232908 0.87 MAPT (0.48) MAPTTP53MEN1KMT2ANPC1
SCHEMBL3238429 0.87 MAPT (0.47) MAPTTP53MEN1KMT2ANPC1
SCHEMBL3228755 0.85 MAPT (0.41) MAPTMEN1KMT2ANPC1GBA1
SCHEMBL3229728 0.83 MAPT (0.48) MAPTAKT1TP53MEN1KMT2A
SCHEMBL3268108 0.80 MAPT (0.43) MAPTAKT1TP53LMNAPOLB
SCHEMBL3228961 0.80 MAPT (0.47) MAPTAKT1TP53LMNAPOLB
SCHEMBL3418294 0.79 MEN1 (0.43) MAPTAKT1MEN1KMT2ANPC1
SCHEMBL13309691 0.79 MAPT (0.43) MAPTAKT1TP53MEN1KMT2A

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 5 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
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 4861/4885AKT1 4114/4885TP53 943/4885

“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.