SCHEMBL6906413

SCHEMBL6906413

O=C1NCCc2cc(Br)cc3c2N1CC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.44
PARP11 Q9NR21 1/20 0.44
PARP1 P09874 1/20 0.40
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
CYP11B1 P15538 8/20 0.36
CYP11B2 P19099 8/20 0.36
CYP19A1 P11511 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 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
SCHEMBL6906516 0.83 PARP10 (0.44) PARP10PARP11PARP1CA12CA1
SCHEMBL6906518 0.79 CA12 (0.57) PARP10PARP11PARP1CA12CA1
SCHEMBL31472212 0.77 NPC1 (0.45) CYP11B1CYP11B2CYP19A1L3MBTL1KMT2A
SCHEMBL1762390 0.77 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1L3MBTL1KMT2A
SCHEMBL1875076 0.72 CYP11B2 (0.72) CYP11B1CYP11B2CYP19A1SRD5A1
SCHEMBL17545387 0.71 CA12 (0.60) CA12CA1CA2CA4CA7
SCHEMBL6907075 0.67 TSHR (0.32) PARP10PARP11NPSR1USP2LMNA
SCHEMBL1762467 0.67 CYP11B1 (0.54) CYP11B1CYP11B2TSHRKMT2A
SCHEMBL29876793 0.67 NPC1 (0.57) LMNATSHRKMT2ATDP1
SCHEMBL6907743 0.66 PBRM1 (0.35) CYP11B1CYP11B2CYP19A1NPSR1RECQL

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.