Sugi Predict

Sugi Predict / Compounds / SCHEMBL3589331

SCHEMBL3589331

SCHEMBL3589331

O=[N+]([O-])c1cc(-c2ccnn2-c2c(Cl)cncc2Cl)cc(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GPR35 Q9HC97 3/20 0.37
▸ TTR P02766 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37

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
SCHEMBL1447248 0.87 COMT (0.39) CRHBPCRHR2KDM4EMEN1MAPT
SCHEMBL3584757 0.79 GPR35 (0.38) CRHBPCRHR2KDM4EMEN1MAPT
SCHEMBL3595145 0.78 TTR (0.42) CRHBPCRHR2KDM4EMEN1MAPT
SCHEMBL3583402 0.76 TTR (0.40) CRHBPCRHR2KDM4EMEN1MAPT
SCHEMBL3588095 0.75 TTR (0.37) CRHBPCRHR2KDM4EMEN1MAPT
SCHEMBL3583889 0.74 KDM4E (0.41) CRHBPCRHR2KDM4EMEN1MAPT
SCHEMBL3576463 0.74 TTR (0.38) CRHBPCRHR2KDM4EMEN1MAPT
SCHEMBL3594005 0.73 TTR (0.39) CRHBPCRHR2KDM4EMEN1MAPT
SCHEMBL1447251 0.72 CRHBP (0.35) CRHBPCRHR2KDM4EMEN1MAPT
SCHEMBL3586161 0.71 DUSP3 (0.52) CRHBPCRHR2KDM4EMEN1MAPT

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 CRHBP 2476/4885CRHR2 1136/4885KDM4E 3648/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 CRHBP 2476/4885CRHR2 1136/4885KDM4E 3648/4885

“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.