SCHEMBL3237759

SCHEMBL3237759

COC(=O)C1(c2ccc(Nc3nc(-c4ccc(F)cc4)cc(N(CC4CC4)CC4CC4)n3)cc2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PTGS2 P35354 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
IDO1 P14902 6/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TTK P33981 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33
CDK9 P50750 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL13341355 0.91 VCP (0.40) VCPALDH1A1PTGS2IDO1CYP2C9
SCHEMBL3420464 0.86 PTGS2 (0.39) VCPSMN1; SMN2MAPTALDH1A1PTGS2
SCHEMBL3423997 0.85 PTGS2 (0.39) VCPSMN1; SMN2MAPTALDH1A1PTGS2
SCHEMBL3230131 0.84 VCP (0.47) VCP
SCHEMBL3225982 0.82 VCP (0.47) VCPALDH1A1
SCHEMBL3223357 0.80 SMN1; SMN2 (0.38) VCPSMN1; SMN2MAPTALDH1A1PTGS2
SCHEMBL3228961 0.78 MAPT (0.47) VCPSMN1; SMN2MAPTPTGS2LMNA
SCHEMBL3261463 0.76 MAPT (0.44) MAPTLMNA
SCHEMBL13456811 0.76 VCP (0.44) VCPHRH3
SCHEMBL3232625 0.76 AKT1 (0.40) MAPTALDH1A1PTGS2

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
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

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 4664/4885SMN1; SMN2 2766/4885MAPT 4861/4885

“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.