SCHEMBL3307328

SCHEMBL3307328

O=C(Nc1ccc(C2CCC(C(=O)O)CC2)cc1)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
PLAU P00749 2/20 0.47
DHODH Q02127 1/20 0.46
DEGS1 O15121 2/20 0.46
TP53 P04637 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
MAOB P27338 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
KDM1B Q8NB78 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL3307317 1.00 HDAC3 (0.55) HDAC3HDAC11HDAC8HDAC6PLAU
SCHEMBL3300701 0.88 DEGS1 (0.58) HDAC3HDAC11HDAC8HDAC6PLAU
SCHEMBL3300711 0.88 DEGS1 (0.58) HDAC3HDAC11HDAC8HDAC6PLAU
SCHEMBL14113698 0.88 DEGS1 (0.58) HDAC3HDAC11HDAC8HDAC6PLAU
SCHEMBL3302670 0.86 HDAC3 (0.52) HDAC3HDAC11HDAC8HDAC6PLAU
SCHEMBL14113697 0.86 HDAC3 (0.52) HDAC3HDAC11HDAC8HDAC6PLAU
SCHEMBL3302674 0.86 HDAC3 (0.52) HDAC3HDAC11HDAC8HDAC6PLAU
SCHEMBL3303339 0.84 PLAU (0.61) HDAC3HDAC11HDAC8HDAC6PLAU
SCHEMBL3303343 0.84 PLAU (0.61) HDAC3HDAC11HDAC8HDAC6PLAU
SCHEMBL14113700 0.84 PLAU (0.61) HDAC3HDAC11HDAC8HDAC6PLAU

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-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2010-04-15 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-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES CPS1, GOT2, GPR119 HDAC3 237/4885HDAC11 339/4885HDAC8 557/4885

“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.