SCHEMBL646503

SCHEMBL646503

COC(=O)c1cc(-c2ccc[nH]2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
ALPL P05186 11/20 0.59
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
RAB9A P51151 3/20 0.57
POLB P06746 2/20 0.57
NPC1 O15118 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.55
MAPK1 P28482 1/20 0.51
HPGDS O60760 1/20 0.50
GFER P55789 1/20 0.48

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
SCHEMBL645510 0.81 TP53 (0.60) ALPLSMN1; SMN2
SCHEMBL646099 0.77 GAA (1.00) GAAALPLMAPTSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL1314014 0.76 GAA (0.97) GAAALPLMAPTSMN1; SMN2RAB9A
SCHEMBL644902 0.74 MAPT (0.72) GAAALPLMAPTSMN1; SMN2RAB9A
SCHEMBL13539290 0.74 ALPL (1.00) GAAALPLMAPTSMN1; SMN2RAB9A
SCHEMBL644698 0.74 GAA (0.72) GAAALPLMAPTSMN1; SMN2RAB9A
SCHEMBL645342 0.73 GAA (0.67) GAAALPLMAPTSMN1; SMN2RAB9A
SCHEMBL4788746 0.73 GAA (0.75) GAAALPLMAPTSMN1; SMN2RAB9A
SCHEMBL2631727 0.72 ALPL (0.73) GAAALPLMAPTSMN1; SMN2RAB9A
SCHEMBL3600380 0.72 GAA (0.65) GAAALPLMAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 GAA 40/4885ALPL 1/4885MAPT 3950/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI GAA 40/4885ALPL 1/4885MAPT 3950/4885

“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.