SCHEMBL4724730

SCHEMBL4724730

Nc1ccc2c(OCc3ccccc3)cncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
AOC3 Q16853 1/20 0.47
MAOB P27338 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
CNR1 P21554 1/20 0.43
ACHE P22303 1/20 0.43
CNR2 P34972 1/20 0.43
MPO P05164 1/20 0.42
IKBKB O14920 3/20 0.41
DCPS Q96C86 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL18767460 0.81 MAOB (0.53) CYP19A1CYP11B1CYP11B2MAOBSMN1; SMN2
SCHEMBL4723430 0.78 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL8298067 0.75 MAOB (0.56) CYP19A1CYP11B1CYP11B2MAOBSMN1; SMN2
SCHEMBL12154961 0.74 MRGPRX4 (0.48) CYP19A1CYP11B1CYP11B2MAOBSMN1; SMN2
SCHEMBL5659691 0.73 MAOB (0.58) CYP19A1CYP11B1CYP11B2MAOBSMN1; SMN2
SCHEMBL27655217 0.72 LTA4H (0.56) CYP19A1CYP11B1CYP11B2AOC3MAOB
SCHEMBL31364101 0.72 KCNA3 (0.65) CYP19A1CYP11B1CYP11B2MAPTRAB9A
SCHEMBL5445170 0.72 KCNA3 (0.65) CYP19A1CYP11B1CYP11B2MAPTRAB9A
Hydrochloric Acid SCHEMBL11596441 0.72 GAA (0.56) CYP19A1CYP11B1CYP11B2MAOBSMN1; SMN2
SCHEMBL11372714 0.72 MAPT (0.56) CYP19A1CYP11B1CYP11B2MAOBSMN1; SMN2

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
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF CYP19A1 2386/4885CYP11B1 960/4885CYP11B2 1416/4885

“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.