SCHEMBL856228

SCHEMBL856228

COC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 8/20 1.00
MAPT P10636 5/20 1.00
HTT P42858 1/20 1.00
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
GAA P10253 1/20 0.59
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA9 Q16790 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL27811135 0.84 MAPT (0.72) ALPLMAPTHTTHDAC3HDAC4
SCHEMBL30336611 0.83 MAPT (0.71) ALPLMAPTHTTHDAC3HDAC4
SCHEMBL28787754 0.83 MAPT (0.70) ALPLMAPTHTTHDAC3HDAC4
SCHEMBL2621883 0.79 ALPL (0.65) ALPLMAPTHTTHDAC3HDAC4
SCHEMBL855951 0.77 MAPT (0.62) ALPLMAPTHTTSMN1; SMN2NR4A2
SCHEMBL2631727 0.76 ALPL (0.73) ALPLMAPTHTTGAACA12
SCHEMBL3600380 0.76 GAA (0.65) ALPLMAPTHTTGAACA12
SCHEMBL7710279 0.75 KDM4E (0.62) ALPLMAPTHTTGAASMN1; SMN2
SCHEMBL646099 0.75 GAA (1.00) ALPLMAPTHTTGAASMN1; SMN2
Hydrochloric Acid SCHEMBL1314014 0.74 GAA (0.97) ALPLMAPTHTTGAASMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP claimed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US claimed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO claimed
CN-102093341-B Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof TIANJIN INST PHARM RESEARCH 2013-07-24 CN disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 EP disclosed
CN-102093341-A Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof TIANJIN INST PHARM RESEARCH 2011-06-15 CN disclosed
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 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 (2 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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALPL 1/4885MAPT 3950/4885HTT 4554/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALPL 1/4885MAPT 3950/4885HTT 4554/4885

“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.