SCHEMBL855951

SCHEMBL855951

COC(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
ALPL P05186 1/20 0.62
HTT P42858 1/20 0.62
NR4A2 P43354 1/20 0.52
CREBBP Q92793 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TNIK Q9UKE5 3/20 0.50
BRD4 O60885 1/20 0.48
KDM4E B2RXH2 4/20 0.48
STAT3 P40763 1/20 0.48
HIF1A Q16665 1/20 0.48
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 2/20 0.46
GPR84 Q9NQS5 1/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 3/20 0.45

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
SCHEMBL13953172 0.84 BRD4 (0.48) MAPTALPLHTTNR4A2CREBBP
SCHEMBL28787770 0.84 BRD4 (0.63) MAPTALPLHTTMEN1KMT2A
SCHEMBL856228 0.77 ALPL (1.00) MAPTALPLHTTNR4A2CREBBP
SCHEMBL27831435 0.75 MAPT (0.54) MAPTALPLHTTNR4A2CREBBP
SCHEMBL1221564 0.75 MEN1 (0.61) MAPTALPLMEN1KMT2AL3MBTL1
SCHEMBL10118731 0.75 TNIK (0.55) MAPTALPLHTTNR4A2TNIK
SCHEMBL15671420 0.74 KMT2A (0.53) MAPTMEN1KMT2AL3MBTL1KDM4E
SCHEMBL30100928 0.73 MAPT (0.52) MAPTALPLHTTNR4A2CREBBP
SCHEMBL25034318 0.73 MAPT (0.57) MAPTALPLHTTMEN1KMT2A
SCHEMBL8734936 0.72 NR4A2 (0.69) MAPTALPLHTTNR4A2CREBBP

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 12 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
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US 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
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 disclosed
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 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 MAPT 3950/4885ALPL 1/4885HTT 4554/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI MAPT 3950/4885ALPL 1/4885HTT 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.