SCHEMBL646028

SCHEMBL646028

O=C(O)c1cc(-c2ccoc2)n[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.63
ALPL P05186 10/20 0.59
CA12 O43570 5/20 0.59
RPA1 P27694 1/20 0.58
CA9 Q16790 3/20 0.55
KDM4E B2RXH2 1/20 0.54
SUV39H1 O43463 1/20 0.52
PRMT3 O60678 1/20 0.52
KMT2A Q03164 1/20 0.52
PRMT9 Q6P2P2 1/20 0.52
BCDIN3D Q7Z5W3 1/20 0.52
DOT1L Q8TEK3 1/20 0.52
PRMT1 Q99873 1/20 0.52
SMYD3 Q9H7B4 1/20 0.52
EHMT1 Q9H9B1 1/20 0.52
HCAR3 P49019 1/20 0.51
MARS1 P56192 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PIN1 Q13526 1/20 0.49
HPGDS O60760 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
SCHEMBL643567 0.82 GAA (0.65) ALPLSUV39H1PRMT3KMT2APRMT9
SCHEMBL726574 0.78 TP53 (1.00) TP53ALPLCA12RPA1CA9
SCHEMBL1414100 0.75 ALPL (1.00) TP53ALPLCA12RPA1CA9
SCHEMBL222852 0.75 TP53 (0.74) TP53ALPLCA12RPA1CA9
SCHEMBL645618 0.74 PIM1 (0.43) TP53ALPLKDM4ESUV39H1PRMT3
SCHEMBL23803931 0.73 ALPL (0.73) TP53ALPLCA12RPA1CA9
SCHEMBL3447352 0.73 ALPL (1.00) TP53ALPLCA12RPA1CA9
SCHEMBL645330 0.73 ALPL (1.00) TP53ALPLCA12RPA1CA9
SCHEMBL15094586 0.73 ALPL (1.00) TP53ALPLCA12RPA1CA9
Hydrochloric Acid SCHEMBL27639048 0.73 TP53 (0.72) TP53ALPLCA12RPA1CA9

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 4 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
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

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 4049/4885ALPL 1/4885CA12 200/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI TP53 4049/4885ALPL 1/4885CA12 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.