SCHEMBL460286

SCHEMBL460286

Cc1n[nH]c2c1C(=O)CC(C)(C)C2

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.63
ALPL P05186 8/20 0.59
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.40
MAOA P21397 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
OPRM1 P35372 3/20 0.36

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
SCHEMBL10123130 0.80 HSD17B10 (0.61) HSD17B10ALPLALDH1A1MAPK1MEN1
SCHEMBL13343014 0.77 HSD17B10 (0.58) HSD17B10ALPLALDH1A1MAPK1MEN1
SCHEMBL7482231 0.77 HSD17B10 (0.58) HSD17B10ALPLALDH1A1MAPK1MEN1
SCHEMBL1220143 0.76 HSD17B10 (0.56) HSD17B10ALPLALDH1A1MAPK1MEN1
SCHEMBL1218889 0.76 HSD17B10 (0.56) HSD17B10ALPLALDH1A1MAPK1MEN1
SCHEMBL19398370 0.74 HSD17B10 (0.70) HSD17B10ALPLALDH1A1MAPK1MEN1
SCHEMBL7479968 0.72 ALPL (0.73) HSD17B10ALPLALDH1A1HPGDCYP3A4
SCHEMBL2575246 0.69 TSHR (0.52) ALDH1A1MAPK1HPGDTSHR
SCHEMBL7490668 0.69 ALPL (0.65) HSD17B10ALPLALDH1A1HPGDCYP3A4
SCHEMBL7480743 0.69 ALPL (0.72) HSD17B10ALPLALDH1A1MAPK1MEN1

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-11351275-B2 Metal complexes with bisphophonate or pyrophosphate useful as imaging agents DUKE UNIVERSITY (US) 2022-06-07 US disclosed
CN-114213332-B Tetrahydroindazole compound and preparation method and application thereof 深圳市人民医院 2022-05-17 CN disclosed
CN-114213332-A Tetrahydroindazole compound and preparation method and application thereof 深圳市人民医院 2022-03-22 CN disclosed
US-20190231907-A1 Metal Complexes with Bisphophonate or Pyrophosphate Useful as Imaging Agents UNITED STATES GOVERNMENT 2019-08-01 US disclosed
US-20190194358-A1 Synthetic Antibodies ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-06-27 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US disclosed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
US-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-10-23 US disclosed
US-7678803-B2 Heat Shock Protein-90 inhibitors; Antiproliferative agents; cancer, inflammation, arthritis, angiogenesis, viral, fungal and malaria infections; 1-(isoquinoline, quinazoline or pyrimidino(3,2-d)pyridine-substituted)-4,5,6,7-tetrahydroindol-4-ones or 4,5,6,7-pyrazol-4-ones SERENEX, INC. (US) 2010-03-16 US disclosed
CN-100575341-C The derivative of tetrahydro-indolone and the derivative of tetrahydro-indazolone and their application GUOYAO LONGLI BIOLOG MEDICAL NEW TECHNOLOGY CO LTD BEIJING 2009-12-30 CN disclosed
WO-2009140039-A2 SYNTHETIC ANTIBODIES THE ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2009-11-19 WO disclosed
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives ESANEX, INC. 2008-03-20 US disclosed
WO-2008024974-A1 PYRIMIDINE AND PYRAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
CN-1896060-A Tetrahydro-indolone and tetrahydro-indazolone derivatives and their use GUOYAO LONGLI BIOLOG MEDICAL N (CN) 2007-01-17 CN disclosed
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed
EP-1150998-A1 PROCESS FOR THE PREPARATION OF CYCLIC TETRAPEPTIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-11-07 EP disclosed
WO-2000047608-A1 PROCESS FOR THE PREPARATION OF CYCLIC TETRAPEPTIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-08-17 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-20140315889-A1 HYDROXAMATE DERIVATIVES FOR HDAC INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THEREOF HDAC1, HDAC5, HDAC3 HSD17B10 150/4885ALPL 1399/4885ALDH1A1 772/4885
US-20190231907-A1 Metal Complexes with Bisphophonate or Pyrophosphate Useful as Imaging Agents PPIP5K2, MPI, PHPT1 HSD17B10 4642/4885ALPL 710/4885ALDH1A1 4853/4885
US-20080070935-A1 Isoquinoline, Quinazoline and Phthalazine Derivatives H1-5, NDUFS5, IL5 HSD17B10 3696/4885ALPL 589/4885ALDH1A1 1920/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 HSD17B10 3780/4885ALPL 2081/4885ALDH1A1 1049/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 HSD17B10 3780/4885ALPL 2081/4885ALDH1A1 1049/4885
US-11351275-B2 Metal complexes with bisphophonate or pyrophosphate useful as imaging agents PPIP5K2, MPI, PHPT1 HSD17B10 4642/4885ALPL 710/4885ALDH1A1 4853/4885

“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.