SCHEMBL3301768

SCHEMBL3301768

O=C(O)CN1C(=O)CCc2cc(-c3ccc(Cl)c(Cl)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
MET P08581 1/20 0.42
ATAD2 Q6PL18 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B3 P37058 1/20 0.38

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
SCHEMBL3310040 0.89 HDAC1 (0.43) CYP1A2CYP11B1CYP11B2HDAC1HDAC8
SCHEMBL3304919 0.89 CYP1A2 (0.41) CYP1A2CYP11B1CYP11B2HDAC1HDAC8
SCHEMBL3302747 0.88 HDAC1 (0.49) CYP1A2CYP11B1CYP11B2HDAC1HDAC8
SCHEMBL3305872 0.86 LMNA (0.44) CYP1A2CYP11B1CYP11B2HDAC1HDAC8
SCHEMBL3307032 0.85 CYP11B1 (0.47) CYP1A2CYP11B1CYP11B2HDAC1HDAC8
SCHEMBL14865932 0.83 HTT (0.48) CYP1A2CYP11B1CYP11B2DRD2DRD4
SCHEMBL3309801 0.83 CYP11B1 (0.44) CYP1A2CYP11B1CYP11B2HDAC6MET
SCHEMBL3301564 0.83 MET (0.47) CYP1A2CYP11B1CYP11B2HDAC1HDAC8
SCHEMBL10507895 0.82 HDAC1 (0.60) CYP1A2HDAC1HDAC8HDAC6DRD2
SCHEMBL2955428 0.82 MEN1 (0.43) HDAC1HDAC8HDAC6DRD2DRD4

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 CYP1A2 2073/4885CYP11B1 1655/4885CYP11B2 1716/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E CYP1A2 1928/4885CYP11B1 1355/4885CYP11B2 1629/4885

“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.