SCHEMBL3227546

SCHEMBL3227546

CC(C)(C)CNc1nc(Nc2ccc(C3(C(=O)O)CCC3)cc2)cc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.48
MAPT P10636 4/20 0.42
SYK P43405 1/20 0.40
TP53 P04637 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
PLK1 P53350 1/20 0.40
PTGDR Q13258 1/20 0.40
ADORA1 P30542 3/20 0.39
GPR39 O43194 1/20 0.39
MAPK8 P45983 1/20 0.38
AKR1C1 Q04828 1/20 0.37
THRB P10828 1/20 0.37
AGPAT2 O15120 1/20 0.36

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
SCHEMBL3261619 0.92 VCP (0.42) VCPMAPTSYKPLK1PTGDR
SCHEMBL3233798 0.88 VCP (0.43) VCPMAPTSYKTP53LMNA
SCHEMBL3234022 0.84 SYK (0.42) VCPMAPTSYKTP53LMNA
SCHEMBL3227518 0.83 MAPT (0.48) VCPMAPTSYKTP53LMNA
SCHEMBL3229373 0.83 PLK1 (0.42) VCPMAPTSYKTP53LMNA
SCHEMBL3224000 0.83 SYK (0.44) VCPMAPTSYKTP53LMNA
Dimethylamine SCHEMBL3266676 0.83 SYK (0.40) VCPMAPTSYKTP53LMNA
SCHEMBL3264006 0.82 SYK (0.42) VCPMAPTSYKTP53LMNA
SCHEMBL3229316 0.82 PTGS2 (0.49) VCPMAPTSYKTP53LMNA
SCHEMBL3227553 0.82 MAPT (0.41) VCPMAPTSYKTP53LMNA

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 4 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
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 VCP 4664/4885MAPT 4861/4885SYK 571/4885

“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.