SCHEMBL3308368

SCHEMBL3308368

O=C(O)CN1C(=O)CCc2cc(-c3ccc(F)cc3F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DHFR P00374 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LMNA P02545 1/20 0.45
TTR P02766 1/20 0.45
ALB P02768 1/20 0.45
HMGB1 P09429 1/20 0.45
HPGD P15428 1/20 0.45
CXCL12 P48061 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
TDP2 O95551 1/20 0.43

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
SCHEMBL3302995 0.90 HRH3 (0.43) KDM4EMEN1USP2ALDH1A1DHFR
SCHEMBL3309801 0.87 CYP11B1 (0.44) MEN1ALDH1A1HPGDKMT2AHDAC6
SCHEMBL10511865 0.86 CHRM1 (0.48) MEN1KMT2AHDAC6CHRM1PTGDR2
SCHEMBL3312986 0.85 HRH3 (0.47) KDM4EMEN1USP2ALDH1A1DHFR
SCHEMBL3308922 0.83 CYP11B1 (0.47) MEN1LMNAKMT2AHRH3HDAC6
SCHEMBL3310060 0.83 CYP11B1 (0.44) MEN1KMT2AHRH3HDAC6CHRM1
SCHEMBL3311437 0.83 POLB (0.55) MEN1KMT2AHRH3TDP2HDAC6
SCHEMBL3314179 0.82 HDAC6 (0.45) KDM4EMEN1USP2ALDH1A1DHFR
SCHEMBL3304919 0.80 CYP1A2 (0.41) MEN1KMT2AHDAC6CHRM1MET
SCHEMBL3310040 0.80 HDAC1 (0.43) TDP2HDAC6METPTGDR2CYP1A2

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-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US claimed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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 (2 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-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNH3 KDM4E 2337/4885MEN1 1590/4885USP2 4652/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E KDM4E 2472/4885MEN1 1212/4885USP2 4688/4885

“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.