SCHEMBL4499181

SCHEMBL4499181

COc1ccc2cc(-n3ccnc3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 1.00
CYP11B2 P19099 4/20 1.00
MAOA P21397 6/20 0.67
MAOB P27338 6/20 0.67
CYP19A1 P11511 6/20 0.66
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL285074 0.84 CYP11B1 (0.73) CYP11B1CYP11B2MAOAMAOBCYP19A1
SCHEMBL6389607 0.83 CYP11B1 (0.71) CYP11B1CYP11B2MAOAMAOBCYP19A1
Bromide SCHEMBL28346058 0.83 CYP11B1 (0.71) CYP11B1CYP11B2MAOAMAOBCYP19A1
Hydrochloric Acid SCHEMBL28300604 0.83 CYP11B1 (0.71) CYP11B1CYP11B2MAOAMAOBCYP19A1
SCHEMBL1903836 0.81 MAOA (1.00) CYP11B1CYP11B2MAOAMAOBCYP19A1
SCHEMBL14483736 0.81 CYP11B1 (0.68) CYP11B1CYP11B2MAOAMAOBCYP19A1
SCHEMBL31138008 0.81 CYP11B1 (0.68) CYP11B1CYP11B2MAOAMAOBCYP19A1
Hydrochloric Acid SCHEMBL1900894 0.80 MAOA (0.98) CYP11B1CYP11B2MAOAMAOBCYP19A1
SCHEMBL2071832 0.80 CYP11B1 (1.00) CYP11B1CYP11B2MAOAMAOBCYP19A1
SCHEMBL1827414 0.79 MAOA (0.65) CYP11B1CYP11B2MAOAMAOBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 US claimed
EP-1853261-B1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES UNIV SAARLAND (DE) 2017-01-11 EP disclosed
US-9271963-B2 Selective inhibitors of human corticosteroid synthases UNIVERSITAT DES SAARLANDES (DE) 2016-03-01 US disclosed
US-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases UNIVERSITAT DES SAARLANDES (DE) 2009-09-03 US disclosed
EP-1853261-A1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES Universität des Saarlandes (DE) 2007-11-14 EP disclosed
WO-2006092430-A1 SELECTIVE INHIBITORS OF HUMAN CORTICOSTEROID SYNTHASES Universität des Saarlandes (DE) 2006-09-08 WO 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 (1 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-20090221591-A1 Selective Inhibitors of Human Corticosteroid Synthases CYP11B1, HSD11B1, HSD17B1 CYP11B1 1/4885CYP11B2 5/4885MAOA 733/4885

“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.