SCHEMBL645342

SCHEMBL645342

COC(=O)c1cc(-c2cc[nH]c2)n[nH]1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
ALPL P05186 11/20 0.65
MAPT P10636 7/20 0.65
RAB9A P51151 4/20 0.65
POLB P06746 1/20 0.65
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
HPGDS O60760 1/20 0.53
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL644346 0.81 TP53 (0.65) ALPLSMN1; SMN2HPGDS
SCHEMBL25438769 0.80 PLA2G10 (0.48) GAAALPLMAPTLMNA
SCHEMBL646099 0.80 GAA (1.00) GAAALPLMAPTRAB9APOLB
Hydrochloric Acid SCHEMBL1314014 0.79 GAA (0.97) GAAALPLMAPTRAB9APOLB
SCHEMBL4788746 0.79 GAA (0.75) GAAALPLMAPTRAB9APOLB
SCHEMBL855912 0.78 ALPL (0.76) GAAALPLMAPTRAB9APOLB
SCHEMBL1414008 0.78 MAPT (1.00) GAAALPLMAPTRAB9APOLB
SCHEMBL2524441 0.78 ALPL (0.76) GAAALPLMAPTRAB9APOLB
SCHEMBL2631731 0.78 MAPT (1.00) GAAALPLMAPTRAB9APOLB
SCHEMBL643567 0.75 GAA (0.65) GAAALPLMAPTRAB9APOLB

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.