SCHEMBL6906428

SCHEMBL6906428

Cc1cc2c3c(c1)CCN3C(=S)CC2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.51
CYP11B2 P19099 8/20 0.51
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SRD5A1 P18405 2/20 0.34
CYP19A1 P11511 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP17A1 P05093 1/20 0.33

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
SCHEMBL6908297 0.80 CYP11B1 (0.48) CYP11B1CYP11B2KMT2ATDP1SRD5A1
SCHEMBL6906962 0.77 CYP11B1 (0.57) CYP11B1CYP11B2KMT2ATDP1CYP19A1
SCHEMBL7977264 0.76 CYP11B2 (0.61) CYP11B1CYP11B2
SCHEMBL7978823 0.70 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL12296888 0.70 KMT2A (0.39) KMT2A
SCHEMBL1878717 0.70 CYP11B1 (0.75) CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL6906516 0.69 PARP10 (0.44) CYP11B1CYP11B2KMT2ATDP1CYP19A1
SCHEMBL1876932 0.69 CYP11B1 (0.64) CYP11B1CYP11B2
SCHEMBL15850901 0.69 CYP11B1 (0.64) CYP11B1CYP11B2
SCHEMBL14305454 0.67 CYP11B1 (0.54) CYP11B1CYP11B2KMT2A

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 CYP11B1 6/4885CYP11B2 4/4885KMT2A 2403/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B1 3/4885CYP11B2 4/4885KMT2A 3727/4885

“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.