Sugi Predict

Sugi Predict / Compounds / SCHEMBL737467

SCHEMBL737467

SCHEMBL737467

O=[N+]([O-])c1ccc(OC2CCNCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 2/20 0.46
▸ TDO2 P48775 1/20 0.44
▸ MAPT P10636 5/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALOX12 P18054 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ PAICS P22234 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 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
Hydrochloric Acid SCHEMBL17451217 0.99 HSPB1 (0.45) HSPB1TDO2MAPTNPSR1MEN1
SCHEMBL12362019 0.92 HSPB1 (0.44) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL12362058 0.92 HSPB1 (0.44) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL7958462 0.92 HSPB1 (0.44) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL30114540 0.90 HSPB1 (0.51) HSPB1MAPTNPSR1MEN1KMT2A
Tert-Butyl Formate SCHEMBL29164459 0.88 HSPB1 (0.38) HSPB1TDO2MAPTNPSR1MEN1
SCHEMBL3882524 0.87 HSPB1 (0.49) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL1749145 0.87 HSPB1 (0.49) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL23448748 0.85 HSPB1 (0.48) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL28908019 0.85 HSPB1 (0.48) HSPB1MAPTNPSR1MEN1KMT2A

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
CN-117658986-A Preparation method of AR antagonist TRC-253 湖南师范大学 2024-03-08 — — CN claimed
CN-117658986-A Preparation method of AR antagonist TRC-253 湖南师范大学 2024-03-08 — — CN disclosed
CN-117658986-A Preparation method of AR antagonist TRC-253 湖南师范大学 2024-03-08 — — CN disclosed
WO-2023217201-A2 NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF 杭州德睿智药科技有限公司 2023-11-16 — — WO disclosed
US-20170217946-A1 AMINO-SUBSTITUTED ISOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-03 — — US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 — — US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 — — US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 — — US disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 — — EP disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 — — EP disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 — — US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 — — US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 — — US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 — — EP disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 — — EP disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 — — US disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 — — EP disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 — — EP disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 — — WO disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 — — 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 (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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 HSPB1 2398/4885TDO2 3605/4885MAPT 4377/4885
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB HSPB1 2706/4885TDO2 4029/4885MAPT 3115/4885
US-20170217946-A1 AMINO-SUBSTITUTED ISOXAZOLES SULT2A1, TBXA2R, F12 HSPB1 4472/4885TDO2 558/4885MAPT 4211/4885

“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.