SCHEMBL3228755

SCHEMBL3228755

COc1ccc(-c2nc(Nc3ccc(C4(C(=O)O)CCC4)cc3)cc(-c3ccccc3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
KDM1A O60341 1/20 0.41
PDE4B Q07343 2/20 0.41
PDE4D Q08499 2/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
ACP1 P24666 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HDAC1 Q13547 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
FYN P06241 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39

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 0.88 IDO1 (0.44) MAPTABCG2ADORA3NPC1LMNA
SCHEMBL3228762 0.85 KDM1A (0.41) MAPTKDM1APDE4BPDE4DPIK3CD
SCHEMBL3229538 0.85 MAPT (0.46) MAPTABCG2ADORA3NPC1LMNA
SCHEMBL3229102 0.83 ADORA3 (0.49) MAPTABCG2ADORA3NPC1ADORA2A
SCHEMBL3230202 0.82 MAPT (0.48) MAPTABCG2ADORA3LMNAADORA2A
SCHEMBL13309712 0.82 IDO1 (0.43) MAPTABCG2ADORA3NPC1LMNA
SCHEMBL13309710 0.81 ABCG2 (0.41) MAPTABCG2ADORA3NPC1LMNA
SCHEMBL3238429 0.81 MAPT (0.47) MAPTABCG2ADORA3NPC1LMNA
SCHEMBL13341432 0.81 MAPT (0.48) MAPTABCG2HDAC1ADORA3NPC1
SCHEMBL3232908 0.81 MAPT (0.48) MAPTABCG2ADORA3NPC1LMNA

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 4861/4885KDM1A 306/4885PDE4B 805/4885

“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.