SCHEMBL3590056

SCHEMBL3590056

O=[N+]([O-])c1cc(-c2csc(-c3cccnc3C(F)(F)F)n2)cc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 16/20 0.44
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL28776335 0.90 EIF4E (0.46) EIF4ECYP19A1CYP11B1CYP11B2MEN1
SCHEMBL1446807 0.84 EIF4E (0.42) EIF4ECYP19A1CYP11B1CYP11B2
SCHEMBL3581708 0.82 TUBB4A (0.41) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL3581595 0.82 POLB (0.47)
SCHEMBL1447240 0.81 POLB (0.46)
SCHEMBL4948554 0.80 EIF4E (0.38) EIF4ECYP19A1CYP11B1CYP11B2
SCHEMBL3580015 0.77 EIF4E (0.47) EIF4EMEN1KMT2A
SCHEMBL3581785 0.73 PPIA (0.38) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL3874634 0.72 MEN1 (0.39) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL3587958 0.72 PPIA (0.41) CYP19A1CYP11B1CYP11B2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 US disclosed
EP-2027091-B1 NEW PHARMACEUTICAL COMPOUNDS BIAL PORTELA & CA SA (PT) 2016-01-06 EP disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 EP disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 EP disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 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 (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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 EIF4E 4154/4885CYP19A1 1198/4885CYP11B1 63/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 EIF4E 4154/4885CYP19A1 1198/4885CYP11B1 63/4885

“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.