SCHEMBL647118

SCHEMBL647118

O=C(O)c1cc(-c2cccc(Br)c2)n[nH]1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.62
CA12 O43570 5/20 0.60
ALPL P05186 11/20 0.58
CA9 Q16790 3/20 0.57
RPA1 P27694 1/20 0.56
KDM4E B2RXH2 1/20 0.52
PIN1 Q13526 1/20 0.51
CHEK1 O14757 1/20 0.51
RET P07949 1/20 0.51
PDGFRB P09619 1/20 0.51
PIM1 P11309 1/20 0.51
PDGFRA P16234 1/20 0.51
GSK3B P49841 1/20 0.51
RPS6KA3 P51812 1/20 0.51
LIMK1 P53667 1/20 0.51
CDK5 Q00535 1/20 0.51
TYRO3 Q06418 1/20 0.51
MAPK14 Q16539 1/20 0.51
LRRK2 Q5S007 1/20 0.51

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
SCHEMBL2851298 0.86 SCN9A (0.54) TP53SMN1; SMN2CA12ALPLCHEK1
SCHEMBL726574 0.83 TP53 (1.00) TP53SMN1; SMN2CA12ALPLCA9
SCHEMBL644698 0.82 GAA (0.72) TP53SMN1; SMN2ALPLCHEK1RET
SCHEMBL23803931 0.82 ALPL (0.73) TP53SMN1; SMN2CA12ALPLCA9
SCHEMBL27758228 0.81 TP53 (0.71) TP53SMN1; SMN2CA12ALPLCA9
SCHEMBL643921 0.81 TP53 (0.71) TP53SMN1; SMN2CA12ALPLCA9
SCHEMBL31178157 0.81 TP53 (0.71) TP53SMN1; SMN2CA12ALPLCA9
SCHEMBL3448593 0.78 MAPT (0.78) TP53SMN1; SMN2CA12ALPLCA9
SCHEMBL16150892 0.78 MEN1 (0.48) TP53SMN1; SMN2KDM4ECHEK1RET
SCHEMBL30683707 0.77 ACR (0.70) TP53CHEK1RETPDGFRBPIM1

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 TP53 4049/4885SMN1; SMN2 4792/4885CA12 200/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI TP53 4049/4885SMN1; SMN2 4792/4885CA12 200/4885

“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.