Sugi Predict

Sugi Predict / Compounds / SCHEMBL4188218

SCHEMBL4188218

SCHEMBL4188218

Nc1ccc(-c2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.76
▸ TDP1 Q9NUW8 3/20 0.76
▸ MEN1 O00255 2/20 0.76
▸ POLB P06746 2/20 0.76
▸ KMT2A Q03164 2/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.51
▸ AAK1 Q2M2I8 1/20 0.50
▸ PKM P14618 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP11B1 P15538 2/20 0.46
▸ CYP11B2 P19099 2/20 0.46
▸ GALR3 O60755 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ CYP17A1 P05093 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ JAK2 O60674 1/20 0.42

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
Hydrochloric Acid SCHEMBL3973011 0.87 MAPT (0.92) MAPTTDP1MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL3973012 0.87 MAPT (0.92) MAPTTDP1MEN1POLBKMT2A
SCHEMBL29409289 0.87 MAPT (1.00) MAPTTDP1MEN1POLBKMT2A
SCHEMBL737722 0.87 MAPT (1.00) MAPTTDP1MEN1POLBKMT2A
SCHEMBL13735401 0.86 MAPT (0.55) MAPTTDP1MEN1POLBKMT2A
SCHEMBL9649469 0.84 TDP1 (0.85) MAPTTDP1MEN1POLBKMT2A
SCHEMBL30581227 0.84 MAPT (0.85) MAPTTDP1MEN1POLBKMT2A
SCHEMBL10714493 0.84 TDP1 (0.85) MAPTTDP1MEN1POLBKMT2A
SCHEMBL3178960 0.84 MAPT (0.85) MAPTTDP1MEN1POLBKMT2A
SCHEMBL653911 0.82 TDP1 (0.81) MAPTTDP1MEN1POLBKMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3994903-A Preparation of 4-(3-nitrophenyl)pyridine STERLING DRUG INC. (US) 1976-11-30 — — US claimed
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 — — US disclosed
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 — — US disclosed
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 — — US disclosed
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 — — US disclosed
EP-3177604-A1 HETEROCYCLIC KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-06-14 — — EP disclosed
WO-2016022312-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-11 — — WO disclosed
WO-2016022312-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-11 — — WO disclosed
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use MJALLI ADNAN M M 2009-10-01 — — US disclosed
US-7582673-B2 Benzo[b]thiophene-2-sulfonic acid [2-(2-chloro-5-trifluoromethylbenzenesulfonylamino)phenyl] amide; agonists of GalR1; useful in treating neuropathic pain or cancer HIGH POINT PHARMACEUTICALS, LLC (US) 2009-09-01 — — US disclosed
US-5767142-A INHIBITION OF MAMMALIAN TUMOR CELL GROWTH RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-06-16 — — US disclosed
EP-0839140-A1 TRIBENZIMIDAZOLES USEFUL AS TOPOISOMERASE I INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-05-06 — — EP disclosed
WO-1996036612-A1 TRIBENZIMIDAZOLES USEFUL AS TOPOISOMERASE I INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1996-11-21 — — WO disclosed
EP-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 — — EP disclosed
EP-0055453-A2 5-(Pyridinyl)-benzimidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-07 — — EP disclosed
US-4335132-A 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols STERLING DRUG, INC. (US) 1982-06-15 — — US disclosed
US-4331671-A 5-(Pyridinyl)-1H-benzimidazoles and 1-hydroxy-6-(pyridinyl)-1H-benzimidazoles and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 — — US disclosed
US-4297362-A 4-(3,4-Diaminophenyl)pyridine or salts, and use thereof as cardiotonic STERLING DRUG INC. (US) 1981-10-27 — — US disclosed
US-4297362-A 4-(3,4-Diaminophenyl)pyridine or salts, and use thereof as cardiotonic STERLING DRUG INC. (US) 1981-10-27 — — US disclosed
US-3994903-A Preparation of 4-(3-nitrophenyl)pyridine STERLING DRUG INC. (US) 1976-11-30 — — 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-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 MAPT 3730/4885TDP1 2567/4885MEN1 751/4885
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS AAK1, NCK1, DAPK2 MAPT 2403/4885TDP1 1759/4885MEN1 3680/4885
US-10035777-B2 Heterocyclic kinase inhibitors AAK1, NCK1, DAPK2 MAPT 2403/4885TDP1 1759/4885MEN1 3680/4885

“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.