Sugi Predict

Sugi Predict / Compounds / SCHEMBL3583683

SCHEMBL3583683

SCHEMBL3583683

O=[N+]([O-])c1cc(-c2cnnc(-c3cnccc3C(F)(F)F)n2)cc(O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 5/20 0.39
▸ FTO Q9C0B1 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ COMT P21964 2/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ PMP22 Q01453 2/20 0.33

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
SCHEMBL3591192 0.87 TTR (0.39) TTRFTODHODHERN1MAPT
SCHEMBL3583841 0.85 MAPT (0.39) TTRMAPTCOMTCRHBPCRHR2
SCHEMBL1446780 0.83 TTR (0.37) TTRMAPTCOMTCRHBPCRHR2
SCHEMBL3939794 0.83 TTR (0.39) TTRFTODHODHERN1MAPT
SCHEMBL1447033 0.82 EIF4E (0.46) TTRMAPTKDM4EMAPK1TDP1
SCHEMBL3596793 0.82 COMT (0.47) MAPTCOMTRAB9ANPC1MAPK1
SCHEMBL3583198 0.81 MAPT (0.39) TTRFTODHODHERN1MAPT
SCHEMBL3580050 0.81 DHODH (0.37) TTRFTODHODHERN1MAPT
SCHEMBL1447038 0.80 COMT (0.36) TTRMAPTCOMTCRHBPCRHR2
SCHEMBL3586827 0.80 CYP1A2 (0.39) TTRFTODHODHERN1MAPT

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 TTR 2094/4885FTO 4045/4885DHODH 1071/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 TTR 2094/4885FTO 4045/4885DHODH 1071/4885

“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.