SCHEMBL3305872

SCHEMBL3305872

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP1A2 P05177 1/20 0.39
HDAC6 Q9UBN7 4/20 0.39
MET P08581 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TP53 P04637 2/20 0.37
COMT P21964 1/20 0.37
KDR P35968 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOTUM Q6P988 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3310353 0.90 LMNA (0.44) LMNAHTTGAAMAPTCYP11B1
SCHEMBL3301768 0.86 CYP1A2 (0.44) CYP11B1CYP11B2CYP1A2HDAC6MET
SCHEMBL3306925 0.85 KIF11 (0.42) MAPTCYP11B1CYP11B2CYP1A2HDAC6
SCHEMBL3304919 0.85 CYP1A2 (0.41) MAPTCYP11B1CYP11B2CYP1A2HDAC6
SCHEMBL3306413 0.85 KIF11 (0.44) MAPTCYP11B1CYP11B2CYP1A2HDAC6
SCHEMBL3310040 0.83 HDAC1 (0.43) CYP11B1CYP11B2CYP1A2HDAC6MET
SCHEMBL3302747 0.82 HDAC1 (0.49) CYP11B1CYP11B2CYP1A2HDAC6MET
SCHEMBL3306622 0.81 CYP11B1 (0.46) MAPTCYP11B1CYP11B2CYP1A2HDAC6
SCHEMBL3309801 0.80 CYP11B1 (0.44) MAPTCYP11B1CYP11B2CYP1A2HDAC6
SCHEMBL29456205 0.80 NOTUM (0.50) HTTMAPTHDAC6HDAC1HDAC8

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-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-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 LMNA 2206/4885HTT 503/4885GAA 3923/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E LMNA 2017/4885HTT 566/4885GAA 3868/4885

“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.