SCHEMBL5943974

SCHEMBL5943974

COc1cccc(NC(=O)Nc2cccc(-c3ccc(C(=O)NO)cc3)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.70
ADORA3 P0DMS8 1/20 0.63
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
POLB P06746 1/20 0.62
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TP53 P04637 2/20 0.61
PKM P14618 1/20 0.61
CNR1 P21554 1/20 0.60
TSHR P16473 1/20 0.59
MITF O75030 1/20 0.59
NLRP3 Q96P20 1/20 0.58
MAPT P10636 4/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.56
STAT1 P42224 1/20 0.56

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
SCHEMBL30209664 0.91 PLAU (0.66) TRPV1ADORA3KMT2AMEN1POLB
SCHEMBL3035429 0.90 TRPV1 (0.82) TRPV1ADORA3KMT2AMEN1POLB
SCHEMBL5944083 0.87 ADORA3 (0.82) TRPV1ADORA3KMT2AMEN1POLB
SCHEMBL5944122 0.87 TRPV1 (0.63) TRPV1ADORA3KMT2AMEN1POLB
SCHEMBL5944037 0.84 PARP1 (0.72) ADORA3KMT2ACNR1PARP1HDAC6
SCHEMBL5943889 0.83 ADORA3 (0.65) TRPV1ADORA3KMT2AMEN1POLB
SCHEMBL3025464 0.83 RXFP1 (0.76) TRPV1KMT2AMEN1POLBRAB9A
SCHEMBL4253111 0.83 TRPV1 (1.00) TRPV1ADORA3KMT2AMEN1POLB
SCHEMBL5944054 0.82 ADORA3 (0.63) TRPV1ADORA3KMT2AMEN1POLB
SCHEMBL29936508 0.81 PLAU (0.66) TRPV1ADORA3KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 TRPV1 4432/4885ADORA3 4493/4885KMT2A 100/4885

“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.