SCHEMBL6909151

SCHEMBL6909151

[C-]#[N+]c1ccc(Cc2c(-c3cccnc3)ccc3c2CCC(=O)N3)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
CYP11B1 P15538 15/20 0.45
CYP11B2 P19099 15/20 0.45
CYP19A1 P11511 8/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 1/20 0.44
TBXAS1 P24557 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
BTK Q06187 1/20 0.35
TDP2 O95551 1/20 0.34

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
SCHEMBL1877637 0.87 BRD4 (0.58) BRD4CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL1880707 0.84 CYP11B2 (0.48) BRD4CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL1877041 0.84 CYP11B1 (0.51) BRD4CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL7990636 0.82 CYP11B1 (0.53) BRD4CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL1881373 0.80 CYP11B1 (0.54) BRD4CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL1877931 0.74 CYP11B1 (0.61) CYP11B1CYP11B2CYP19A1CYP1A2CYP2C9
SCHEMBL1879729 0.74 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CYP1A2CYP2C9
SCHEMBL1881963 0.73 PARP10 (0.61) CYP11B1CYP11B2CYP19A1CYP1A2CYP2C9
SCHEMBL1880820 0.73 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1CYP1A2CYP2C9
SCHEMBL1875662 0.73 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1CYP1A2CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 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-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 BRD4 1721/4885CYP11B1 6/4885CYP11B2 4/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 BRD4 4059/4885CYP11B1 3/4885CYP11B2 4/4885

“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.