SCHEMBL3226049

SCHEMBL3226049

Cc1ccc(-c2nc(Nc3ccc(C4(C(=O)O)CCC4)cc3)cc(-c3ccccc3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
MAPT P10636 5/20 0.43
ABCG2 Q9UNQ0 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
GBA1 P04062 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA2A P29274 6/20 0.41
ADORA1 P30542 6/20 0.41
ADORA3 P0DMS8 5/20 0.41
ABCB1 P08183 3/20 0.39
ABCC1 P33527 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL13309712 0.94 IDO1 (0.43) IDO1MAPTABCG2MEN1KMT2A
SCHEMBL3229538 0.93 MAPT (0.46) IDO1MAPTABCG2MEN1KMT2A
SCHEMBL3228755 0.88 MAPT (0.41) MAPTABCG2MEN1KMT2ANPC1
SCHEMBL3229102 0.85 ADORA3 (0.49) MAPTABCG2MEN1KMT2ANPC1
SCHEMBL3230202 0.84 MAPT (0.48) IDO1MAPTABCG2MEN1KMT2A
SCHEMBL3230201 0.83 PTGS2 (0.45) MAPTABCG2MEN1KMT2AADORA2A
SCHEMBL13341432 0.81 MAPT (0.48) MAPTABCG2MEN1KMT2ANPC1
SCHEMBL13309710 0.80 ABCG2 (0.41) MAPTABCG2MEN1KMT2ANPC1
SCHEMBL3238429 0.79 MAPT (0.47) MAPTABCG2MEN1KMT2ANPC1
SCHEMBL3232908 0.79 MAPT (0.48) MAPTABCG2MEN1KMT2ANPC1

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 IDO1 631/4885MAPT 4861/4885ABCG2 1489/4885

“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.