Sugi Predict

Sugi Predict / Compounds / SCHEMBL15099321

SCHEMBL15099321

SCHEMBL15099321

O=[N+]([O-])/C=C/c1ccc(-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 12/20 0.77
▸ TLR4 O00206 3/20 0.66
▸ TLR2 O60603 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ S1PR4 O95977 1/20 0.62
▸ HSP90AA1 P07900 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ S1PR1 P21453 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ CCR6 P51684 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ TLR9 Q9NR96 1/20 0.62
▸ EGFR P00533 3/20 0.60
▸ MAPT P10636 2/20 0.55
▸ ERBB2 P04626 1/20 0.51
▸ ABL1 P00519 1/20 0.50

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
SCHEMBL16335663 1.00 FBP1 (0.77) FBP1TLR4TLR2ALDH1A1LMNA
SCHEMBL7829067 0.88 FBP1 (0.91) FBP1TLR4TLR2ALDH1A1LMNA
SCHEMBL7829071 0.88 FBP1 (0.91) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL1226359 0.87 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL18132133 0.87 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL28065845 0.87 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL30591 0.87 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
SCHEMBL19088017 0.87 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL1226357 0.87 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA
(2-Nitrovinyl)Benzene SCHEMBL30590 0.87 FBP1 (1.00) FBP1TLR4TLR2ALDH1A1LMNA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385004-B2 Process and intermediates for the preparation of NEP inhibitors NOVARTIS AG (CH) 2019-08-20 — — US disclosed
US-10246414-B2 Allosteric modulators of CB1 cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2019-04-02 — — US disclosed
US-10246414-B2 Allosteric modulators of CB1 cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2019-04-02 — — US disclosed
EP-2800569-B1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS UNIV NORTHEASTERN (US) 2018-07-25 — — EP disclosed
EP-2800569-B1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS UNIV NORTHEASTERN (US) 2018-07-25 — — EP disclosed
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 — — US disclosed
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS PHARMA AG (CH) 2018-01-25 — — US disclosed
EP-3256444-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS Novartis AG (CH) 2017-12-20 — — EP disclosed
US-20170197918-A1 Allosteric Modulators of CB1 Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2017-07-13 — — US disclosed
US-20170197918-A1 Allosteric Modulators of CB1 Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2017-07-13 — — US disclosed
US-20170197918-A1 Allosteric Modulators of CB1 Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2017-07-13 — — US disclosed
US-9556118-B2 Allosteric modulators of CB1 cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2017-01-31 — — US disclosed
US-9556118-B2 Allosteric modulators of CB1 cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2017-01-31 — — US disclosed
US-9556118-B2 Allosteric modulators of CB1 cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2017-01-31 — — US disclosed
WO-2016128924-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS NOVARTIS AG (CH) 2016-08-18 — — WO disclosed
US-20150005346-A1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY 2015-01-01 — — US disclosed
US-20150005346-A1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY 2015-01-01 — — US disclosed
US-20150005346-A1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY 2015-01-01 — — US disclosed
WO-2013103967-A1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY (US) 2013-07-11 — — 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 (5 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-20150005346-A1 ALLOSTERIC MODULATORS OF CB1 CANNABINOID RECEPTORS CNR1, CNR2, GPR18 FBP1 1844/4885TLR4 1011/4885TLR2 1204/4885
US-10246414-B2 Allosteric modulators of CB1 cannabinoid receptors CNR1, CNR2, GPR18 FBP1 1844/4885TLR4 1011/4885TLR2 1204/4885
US-10385004-B2 Process and intermediates for the preparation of NEP inhibitors MME, ACE, REN FBP1 549/4885TLR4 4662/4885TLR2 4816/4885
US-20180022690-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF NEP INHIBITORS MME, ACE, REN FBP1 549/4885TLR4 4662/4885TLR2 4816/4885
US-20170197918-A1 Allosteric Modulators of CB1 Cannabinoid Receptors CNR1, CNR2, GPR18 FBP1 1844/4885TLR4 1011/4885TLR2 1204/4885

“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.