Sugi Predict

Sugi Predict / Compounds / SCHEMBL897095

SCHEMBL897095

SCHEMBL897095

COc1c(Br)cc([N+](=O)[O-])cc1-c1ccc2cc(NS(C)(=O)=O)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.45
▸ PLAU P00749 5/20 0.43
▸ TP53 P04637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP19A1 P11511 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MLNR O43193 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MPO P05164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL482637 0.84 CRBN (0.43) CRBNPLAUTP53KDM4ETDP1
SCHEMBL482270 0.83 CRBN (0.48) CRBNPLAUTP53KDM4ETDP1
SCHEMBL482542 0.82 CRBN (0.48) CRBNPLAUTP53LMNAMAPK1
SCHEMBL896485 0.82 CRBN (0.48) CRBNPLAUTP53LMNAMAPK1
SCHEMBL482820 0.73 CRBN (0.43) CRBNPLAUTP53MAPK1GAA
SCHEMBL1530175 0.73 CRBN (0.77) CRBNPLAUTP53LMNAMAPT
SCHEMBL482819 0.73 CRBN (0.43) CRBNPLAUTP53MAPK1GAA
SCHEMBL2911158 0.73 CRBN (0.52) CRBNPLAUTP53CYP3A4
SCHEMBL482534 0.73 CRBN (0.54) CRBNPLAUTP53LMNAMAPK1
SCHEMBL896347 0.71 NPSR1 (0.48) CRBNPLAUTP53KDM4EGAA

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-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 — — US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 — — EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 — — US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 — — US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 — — US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 — — US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 — — US 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 (3 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-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885PLAU 1999/4885TP53 500/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885PLAU 1999/4885TP53 500/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885PLAU 1999/4885TP53 500/4885

“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.