SCHEMBL2631731

SCHEMBL2631731

COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
ALPL P05186 9/20 0.76
RAB9A P51151 4/20 0.76
POLB P06746 1/20 0.76
NPC1 O15118 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
LMNA P02545 1/20 0.74
GAA P10253 1/20 0.73
CA12 O43570 1/20 0.68
TP53 P04637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL855912 0.85 ALPL (0.76) MAPTALPLRAB9APOLBNPC1
SCHEMBL2524441 0.85 ALPL (0.76) MAPTALPLRAB9APOLBNPC1
SCHEMBL1414008 0.85 MAPT (1.00) MAPTALPLRAB9APOLBNPC1
SCHEMBL646099 0.84 GAA (1.00) MAPTALPLRAB9APOLBNPC1
SCHEMBL1413959 0.84 ALPL (1.00) MAPTALPLRAB9APOLBNPC1
SCHEMBL644902 0.84 MAPT (0.72) MAPTALPLRAB9APOLBNPC1
SCHEMBL4788746 0.83 GAA (0.75) MAPTALPLRAB9APOLBNPC1
Hydrochloric Acid SCHEMBL1314014 0.83 GAA (0.97) MAPTALPLRAB9APOLBNPC1
SCHEMBL14758883 0.83 MAPT (0.71) MAPTALPLRAB9APOLBNPC1
SCHEMBL13539283 0.83 ALPL (0.73) MAPTALPLRAB9APOLBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111479806-B D-amino acid oxidase inhibitors and therapeutic uses thereof 心悦生医股份有限公司 2024-01-30 CN disclosed
CN-111479806-A D-amino acid oxidase inhibitors and therapeutic uses thereof 心悦生医股份有限公司 2020-07-31 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
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 MAPT 3950/4885ALPL 1/4885RAB9A 3655/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI MAPT 3950/4885ALPL 1/4885RAB9A 3655/4885

“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.