SCHEMBL626155

SCHEMBL626155

NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
MAPT P10636 9/20 0.63
ALDH1A1 P00352 7/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
LMNA P02545 4/20 0.63
POLB P06746 2/20 0.61
SIRT6 Q8N6T7 1/20 0.61
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTT P42858 1/20 0.59
TP53 P04637 1/20 0.59
MAPK1 P28482 1/20 0.58

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
SCHEMBL27783156 0.87 AKR1C3 (0.85) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1393155 0.85 AKR1C3 (0.68) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL27566 0.84 AKR1C3 (0.67) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6151230 0.84 SIRT6 (0.81) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL15271381 0.84 SIRT6 (0.81) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2074819 0.84 MAPT (0.68) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29057437 0.84 MAPT (0.68) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL3012718 0.84 AKR1C3 (0.67) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL16026508 0.83 ALDH1A1 (0.70) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
Ammonia Solution, Strong SCHEMBL27607455 0.83 MAPT (0.66) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221633-A TRPV1/URAT1 dual inhibitor, preparation method and application thereof 郑州大学第一附属医院 2024-06-21 CN claimed
CN-118221633-A TRPV1/URAT1 dual inhibitor, preparation method and application thereof 郑州大学第一附属医院 2024-06-21 CN disclosed
US-11414410-B2 Inhibitors of protein kinases ALEXION PHARMACEUTICALS, INC. (US) 2022-08-16 US disclosed
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-9192569-B2 Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LIMITED (GB) 2015-11-24 US disclosed
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-04-02 US disclosed
US-8937070-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-01-20 US disclosed
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US disclosed
EP-2321283-A1 2, 6-DIAMINO-PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS Portola Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 WO disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
WO-2009145856-A1 2, 6-DIAMINO-PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 EP disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 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 (6 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 AKR1C3 3906/4885MAPT 1178/4885ALDH1A1 4344/4885
US-20200239458-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 AKR1C3 3906/4885MAPT 1178/4885ALDH1A1 4344/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 AKR1C3 3906/4885MAPT 1178/4885ALDH1A1 4344/4885
US-11414410-B2 Inhibitors of protein kinases MAP3K1, MAP3K20, MAP3K2 AKR1C3 2628/4885MAPT 2325/4885ALDH1A1 3704/4885
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 AKR1C3 1376/4885MAPT 3466/4885ALDH1A1 1035/4885
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 AKR1C3 3906/4885MAPT 1178/4885ALDH1A1 4344/4885

“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.