SCHEMBL6906516

SCHEMBL6906516

Cc1cc2c3c(c1)CCN3C(=O)NCC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.44
PARP11 Q9NR21 1/20 0.44
PARP1 P09874 1/20 0.40
CYP11B1 P15538 11/20 0.38
CYP11B2 P19099 10/20 0.38
CYP19A1 P11511 4/20 0.38
CYP17A1 P05093 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6906413 0.83 PARP10 (0.44) PARP10PARP11PARP1CYP11B1CYP11B2
SCHEMBL6906518 0.79 CA12 (0.57) PARP10PARP11PARP1CYP11B1CYP11B2
SCHEMBL6906962 0.77 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1KMT2ATDP1
SCHEMBL16834276 0.73 MEN1 (0.39) KMT2A
SCHEMBL1875076 0.72 CYP11B2 (0.72) CYP11B1CYP11B2CYP19A1
SCHEMBL19219779 0.71 CA12 (0.60) CYP11B1CYP11B2CYP19A1CYP17A1CA12
SCHEMBL6906428 0.69 CYP11B1 (0.51) CYP11B1CYP11B2CYP19A1CYP17A1KMT2A
SCHEMBL14305454 0.67 CYP11B1 (0.54) CYP11B1CYP11B2KMT2A
SCHEMBL11717588 0.67 NPC1 (0.57) KMT2A
SCHEMBL12296888 0.66 KMT2A (0.39) KMT2A

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 PARP10 1628/4885PARP11 716/4885PARP1 2890/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 PARP10 3478/4885PARP11 2508/4885PARP1 4497/4885

“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.