SCHEMBL24730682

SCHEMBL24730682

NC(=O)c1ccc(NCc2ccc3c(c2)OCCO3)nc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 3/20 0.53
PDE5A O76074 1/20 0.53
TSHR P16473 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.46
CHEK1 O14757 1/20 0.46
CHEK2 O96017 1/20 0.46
BRAF P15056 1/20 0.46

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
SCHEMBL20731189 0.81 CLK4 (0.44) VNN1PDE5AHDAC3HDAC1HDAC2
SCHEMBL3795994 0.79 HDAC3 (0.76) VNN1PDE5AHDAC3HDAC1HDAC2
SCHEMBL23938073 0.79 HDAC3 (0.45) VNN1PDE5AHDAC3HDAC1HDAC2
SCHEMBL23938074 0.73 CXCR4 (0.61) PDE5ATSHRALDH1A1NPC1RAB9A
SCHEMBL30465779 0.73 VNN1 (0.70) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL29410881 0.71 TSHR (1.00) TSHRNPC1RAB9ASMN1; SMN2CHEK2
SCHEMBL624490 0.71 TSHR (1.00) TSHRNPC1RAB9ASMN1; SMN2CHEK2
SCHEMBL31141723 0.71 HDAC3 (0.82) VNN1PDE5AHDAC3HDAC1HDAC2
SCHEMBL21704230 0.71 AURKA (0.47) HDAC3HDAC1HDAC2HDAC6NPC1
SCHEMBL22079499 0.69 NNMT (0.45) VNN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 VNN1 1865/4885PDE5A 3143/4885TSHR 4209/4885

“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.