SCHEMBL4532015

SCHEMBL4532015

OC(c1ccccc1)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA14 Q9ULX7 1/20 0.55
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
CYP17A1 P05093 2/20 0.44
EPHX1 P07099 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
PGR P06401 1/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
ACP3 P15309 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP19A1 P11511 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL11640483 0.96 KMT2A (0.51) CA1CA2CA9CA12CA14
SCHEMBL21542539 0.93 EPHX1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL477477 0.93 EPHX1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL21542545 0.93 EPHX1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL29860944 0.89 CA1 (0.64) CA1CA2CA9CA12CA14
SCHEMBL8925746 0.89 CA1 (0.64) CA1CA2CA9CA12CA14
SCHEMBL4504963 0.86 CA1 (0.62) CA1CA2CA9CA12CA14
SCHEMBL3585861 0.84 CA12 (0.59) CA1CA2CA9CA12CA14
SCHEMBL597442 0.83 IDO1 (0.46) CA1CA2CA9KMT2AATM
SCHEMBL22529978 0.81 CYP3A4 (0.46) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 CA1 249/4885CA2 487/4885CA9 297/4885

“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.