SCHEMBL3312591

SCHEMBL3312591

NC(=O)c1cccc(-c2ccc3c(c2)CCC(=O)N3)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.60
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
TBXAS1 P24557 1/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
KIF11 P52732 1/20 0.53
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SCN9A Q15858 1/20 0.49
BRD4 O60885 2/20 0.47
CREBBP Q92793 1/20 0.47
NPC1 O15118 1/20 0.47
MMP12 P39900 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL29899624 0.88 TDP2 (0.72) TDP2CYP11B1CYP11B2CYP1A2PDE3B
SCHEMBL3307683 0.87 KIF11 (0.61) TDP2CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL3309000 0.86 TDP2 (0.60) TDP2CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL9375237 0.84 SIRT2 (0.61) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL14778454 0.83 CYP11B2 (0.61) TDP2CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL29533407 0.80 CYP11B1 (0.62) TDP2CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL29899565 0.80 TDP2 (0.72) TDP2BRD4CREBBPPGRCRBN
SCHEMBL3306566 0.79 KIF11 (0.69) TDP2CYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL3309968 0.78 HPGD (0.60) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL3309677 0.77 KIF11 (0.62) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1

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 8 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
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO 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 TDP2 4148/4885CYP11B1 1655/4885CYP11B2 1716/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E TDP2 4182/4885CYP11B1 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.