SCHEMBL852804

SCHEMBL852804

O=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.74
ALDH1A1 P00352 4/20 0.68
LMNA P02545 1/20 0.68
ALOX12 P18054 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
HPGD P15428 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.64
POLB P06746 1/20 0.64
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ATM Q13315 1/20 0.62
MAPK1 P28482 2/20 0.58
NPY2R P49146 1/20 0.58
NPBWR1 P48145 1/20 0.54
MCHR1 Q99705 1/20 0.54
CRBN Q96SW2 2/20 0.53
KDM4E B2RXH2 1/20 0.49
PANK3 Q9H999 1/20 0.49

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
SCHEMBL2791934 0.92 MAPT (0.67) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL4879305 0.92 MAPT (0.67) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL14658578 0.92 MAPT (0.67) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL6949058 0.85 MAPT (0.74) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL753207 0.85 MAPT (0.65) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3540028 0.85 L3MBTL1 (0.70) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3540036 0.85 L3MBTL1 (0.70) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL670434 0.85 MAPT (0.69) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL594097 0.83 L3MBTL1 (0.69) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL12639913 0.83 L3MBTL1 (0.72) MAPTALDH1A1LMNAALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11684615-B2 Methods of using indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-20230047396-A1 INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-02-16 US disclosed
CN-114853846-A Androgen receptor degradation agent and application thereof 苏州国匡医药科技有限公司 2022-08-05 CN disclosed
WO-2021254464-A1 SUBSTITUTED QUINAZOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 南京红云生物科技有限公司 2021-12-23 WO disclosed
US-11013724-B2 Glutaminase inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-05-25 US disclosed
US-11013724-B2 Glutaminase inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-05-25 US disclosed
US-20190167648-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-06-06 US disclosed
US-20190167648-A1 GLUTAMINASE INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-06-06 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010042682-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO disclosed
WO-2010042682-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
CN-1976938-A Thienopyrazole derivatives having PDE7 inhibitory activity ASUBIO PHARMA CO LTD (JP) 2007-06-06 CN disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP 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 (7 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-20230047396-A1 INDAZOLE-3-CARBOXAMIDES AND THEIR USE AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS WNT1, WNT3, WNT3A MAPT 734/4885ALDH1A1 1625/4885LMNA 2022/4885
US-20190167648-A1 GLUTAMINASE INHIBITORS GLUL, ASNS, GLS MAPT 4520/4885ALDH1A1 968/4885LMNA 2330/4885
US-11684615-B2 Methods of using indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors WNT3, WNT3A, WNT1 MAPT 468/4885ALDH1A1 2846/4885LMNA 1044/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B MAPT 4119/4885ALDH1A1 2864/4885LMNA 4644/4885
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors WNT1, WNT3, WNT3A MAPT 569/4885ALDH1A1 1282/4885LMNA 2275/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MAPT 1496/4885ALDH1A1 1694/4885LMNA 2134/4885
US-11013724-B2 Glutaminase inhibitors GLUL, ASNS, GLS MAPT 4520/4885ALDH1A1 968/4885LMNA 2330/4885

“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.