SCHEMBL3229117

SCHEMBL3229117

Cc1noc(C)c1-c1cc(Nc2ccc(C3(C(=O)O)CCC3)cc2)nc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
PIK3CA P42336 9/20 0.44
MAPK1 P28482 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAF1 P04049 2/20 0.39
BRAF P15056 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 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
SCHEMBL3235876 0.85 RAF1 (0.41) LMNAMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL3229370 0.85 CYP1A2 (0.44) LMNAMAPTHSD17B10ALDH1A1ALOX15
SCHEMBL3221099 0.83 PIK3CA (0.61) LMNAHSD17B10PIK3CAPOLBPIK3CG
SCHEMBL3232544 0.80 CYP1A2 (0.49) LMNAHSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL3228757 0.79 CYP1A2 (0.42) LMNAMAPTHSD17B10ALDH1A1ALOX15
SCHEMBL3230006 0.78 CARM1 (0.41) LMNAMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL3233971 0.78 AURKA (0.43) LMNAMAPTHSD17B10ALDH1A1ALOX15
SCHEMBL3220962 0.78 PIK3CA (0.58) LMNAHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL3232862 0.77 CYP1A2 (0.38) LMNAHSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL3233920 0.77 CYP2C19 (0.42) LMNAMAPTHSD17B10ALDH1A1MAPK1

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 LMNA 4521/4885MAPT 4861/4885HSD17B10 2865/4885

“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.