SCHEMBL3302995

SCHEMBL3302995

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
TDP2 O95551 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DHFR P00374 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CXCL12 P48061 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3308368 0.90 KDM4E (0.45) HRH3TDP2KDM4EMEN1USP2
SCHEMBL3312986 0.84 HRH3 (0.47) HRH3TDP2KDM4EMEN1USP2
SCHEMBL3314179 0.81 HDAC6 (0.45) HRH3TDP2KDM4EMEN1USP2
SCHEMBL3311437 0.80 POLB (0.55) HRH3TDP2MEN1KMT2AHDAC6
SCHEMBL3309048 0.79 HRH3 (0.45) HRH3TDP2HDAC6CHRM1ATAD2
SCHEMBL3315684 0.78 HDAC6 (0.44) HRH3TDP2HDAC6ATAD2CYP11B1
SCHEMBL3309801 0.76 CYP11B1 (0.44) MEN1ALDH1A1HPGDKMT2AHDAC6
SCHEMBL661264 0.75 PER2 (0.42) MEN1USP2ALDH1A1KMT2ACHRM1
SCHEMBL10511865 0.75 CHRM1 (0.48) MEN1KMT2AHDAC6CHRM1ATAD2
SCHEMBL16435091 0.75 HRH3 (0.41) HRH3TDP2KDM4EMEN1USP2

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
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US claimed
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 HRH3 356/4885TDP2 4148/4885KDM4E 2337/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E HRH3 410/4885TDP2 4182/4885KDM4E 2472/4885

“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.