Sugi Predict

Sugi Predict / Compounds / SCHEMBL3587348

SCHEMBL3587348

SCHEMBL3587348

O=[N+]([O-])c1cc(-c2cnnc(-c3cncc(C(F)(F)F)c3)n2)cc(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 5/20 0.45
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ ERN1 O75460 2/20 0.34
▸ ALKBH5 Q6P6C2 1/20 0.34
▸ GPR35 Q9HC97 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ PMP22 Q01453 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL3588381 0.85 TTR (0.45) TTRCRHBPCRHR2ERN1ALKBH5
SCHEMBL1446957 0.85 TTR (0.43) TTRCRHBPCRHR2ALKBH5GPR35
SCHEMBL3588539 0.82 TTR (0.41) TTRCRHBPCRHR2MEN1KMT2A
SCHEMBL3583437 0.82 TTR (0.45) TTRCRHBPCRHR2ERN1ALKBH5
SCHEMBL3582149 0.80 COMT (0.49) TTRMAPTRAB9ACOMT
SCHEMBL3583683 0.80 TTR (0.39) TTRCRHBPCRHR2ERN1GPR35
SCHEMBL3587085 0.79 CRHBP (0.48) TTRCRHBPCRHR2ERN1GPR35
SCHEMBL1447055 0.79 TTR (0.40) TTRCRHBPCRHR2ERN1GPR35
SCHEMBL3572824 0.79 EIF4E (0.48) TTRMAPTKDM4EMEN1ALDH1A1
SCHEMBL1448070 0.79 TTR (0.38) TTRCRHBPCRHR2ALKBH5GPR35

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
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
CN-101248064-A Nitrocatechol derivatives as COMT inhibitors PORTELA & CA SA (PT) 2008-08-20 — — CN 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 TTR 2094/4885CRHBP 2476/4885CRHR2 1136/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 TTR 2094/4885CRHBP 2476/4885CRHR2 1136/4885

“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.