SCHEMBL783373

SCHEMBL783373

CCn1c(=O)oc2cc(F)c(-c3cncc(CO)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
PDE10A Q9Y233 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B2 P19099 6/20 0.36
CYP11B1 P15538 5/20 0.36
CD74 P04233 2/20 0.33
MIF P14174 2/20 0.33
TNIK Q9UKE5 3/20 0.33
KMT2A Q03164 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL783485 0.86 CYP11B2 (0.43) CYP2A6PDE10ASMN1; SMN2CYP11B2CYP11B1
SCHEMBL782302 0.73 CYP11B2 (0.40) CYP2A6PDE10AALDH1A1SMN1; SMN2CYP11B2
SCHEMBL783473 0.67 CYP11B2 (0.54) CYP11B2CYP11B1KMT2A
SCHEMBL782295 0.67 CYP11B2 (0.43) SMN1; SMN2CYP11B2KMT2A
SCHEMBL783487 0.66 KCNJ1 (0.51) PDE10ACYP11B2CYP11B1TNIK
SCHEMBL16014515 0.65 CYP11B1 (0.65) CYP11B2CYP11B1
SCHEMBL805384 0.64 MEN1 (0.43) ALDH1A1SMN1; SMN2CYP11B2KMT2A
SCHEMBL14987939 0.64 PDE10A (0.45) PDE10A
SCHEMBL13961602 0.63 CD74 (0.64) CD74MIFKMT2A
SCHEMBL30665855 0.61 KMO (0.45) PDE10AALDH1A1SMN1; SMN2CD74MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 CYP2A6 67/4885PDE10A 298/4885ALDH1A1 178/4885

“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.