SCHEMBL3589876

SCHEMBL3589876

O=[N+]([O-])c1cc(-c2csc(-c3cccnc3F)n2)cc(O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 17/20 0.47
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
IDO1 P14902 2/20 0.45
TDO2 P48775 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
CASP6 P55212 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTSB P07858 1/20 0.40
GAA P10253 1/20 0.40
ERN1 O75460 1/20 0.40

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
SCHEMBL3580015 0.87 EIF4E (0.47) EIF4EKDM4EMEN1ALDH1A1MAPT
SCHEMBL3580664 0.83 EIF4E (0.48) EIF4EKDM4EMEN1ALDH1A1MAPT
SCHEMBL1446795 0.81 EIF4E (0.46) EIF4ETHRB
SCHEMBL3582099 0.81 MEN1 (0.45) KDM4EMEN1ALDH1A1MAPTIDO1
SCHEMBL3590669 0.81 EIF4E (0.44) EIF4EKDM4EMEN1ALDH1A1MAPT
SCHEMBL7371604 0.81 MAPT (0.62) KDM4EALDH1A1MAPTLMNATDP1
SCHEMBL3588479 0.80 MAPT (0.44) KDM4EMEN1ALDH1A1MAPTIDO1
SCHEMBL27713159 0.78 CYP19A1 (0.53) EIF4ETHRB
SCHEMBL3586103 0.78 MAPT (0.44) KDM4EMEN1ALDH1A1MAPTIDO1
SCHEMBL1448329 0.77 EIF4E (0.41) EIF4ETHRB

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 7 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
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 4154/4885KDM4E 3648/4885MEN1 3595/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 EIF4E 4154/4885KDM4E 3648/4885MEN1 3595/4885

“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.