SCHEMBL3225982

SCHEMBL3225982

COC(=O)C1(c2ccc(Nc3nc(NCC4CC4)cc(-c4ccc(F)cc4)n3)cc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
VCP P55072 18/20 0.47
GALR1 P47211 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL3230131 0.98 VCP (0.47) VCPGALR1
SCHEMBL13456811 0.92 VCP (0.44) VCPGALR1
SCHEMBL3227529 0.91 VCP (0.51) VCPGALR1
SCHEMBL3228932 0.89 VCP (0.51) VCPGALR1
SCHEMBL3223357 0.84 SMN1; SMN2 (0.38) VCPALDH1A1
SCHEMBL3237759 0.82 VCP (0.38) VCPALDH1A1
SCHEMBL3228961 0.82 MAPT (0.47) VCP
SCHEMBL3423997 0.80 PTGS2 (0.39) VCPALDH1A1
SCHEMBL3420464 0.79 PTGS2 (0.39) VCPALDH1A1
SCHEMBL13456904 0.77 VCP (0.48) VCP

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 2 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 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 4664/4885GALR1 725/4885ALDH1A1 2134/4885

“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.