SCHEMBL643640

SCHEMBL643640

O=C(O)c1cc(-c2ccccc2Cl)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 8/20 1.00
TP53 P04637 1/20 0.63
CA12 O43570 5/20 0.58
PIN1 Q13526 1/20 0.56
MARS1 P56192 1/20 0.56
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
CA9 Q16790 3/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 1/20 0.52
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
KMT2A Q03164 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL10049178 0.83 ALPL (0.72) ALPLMAPTKDM4EHTTMEN1
SCHEMBL2558487 0.83 ALPL (1.00) ALPLCA12MARS1
SCHEMBL1413916 0.82 ALPL (0.69) ALPLTP53CA12PIN1MAPT
SCHEMBL2631727 0.82 ALPL (0.73) ALPLCA12MAPTKDM4EHTT
Hydrochloric Acid SCHEMBL14800229 0.81 ALPL (0.97) ALPLCA12MARS1
SCHEMBL30271602 0.81 ALPL (0.68) ALPLTP53CA12PIN1CA9
SCHEMBL14152739 0.81 ALPL (0.68) ALPLTP53CA12PIN1CA9
SCHEMBL27634106 0.81 ALPL (0.68) ALPLTP53MAPTKDM4EHTT
SCHEMBL27965641 0.79 ALPL (0.64) ALPLTP53CA12PIN1MARS1
SCHEMBL726574 0.78 TP53 (1.00) ALPLTP53CA12PIN1CA9

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
US-10377719-B2 Trypanosomes inhibitors HOFFMANN-LA ROCHE INC. (GB) 2019-08-13 US disclosed
CN-105753858-B Heterocyclic compound and p27Kip1Decomposing inhibitor ASKA制药株式会社 2019-04-30 CN disclosed
EP-3380455-A1 TRYPANOSOMES INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-10-03 EP disclosed
US-20180222866-A1 TRYPANOSOMES INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-08-09 US disclosed
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
WO-2017089389-A1 TRYPANOSOMES INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 WO disclosed
EP-3068785-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-21 EP disclosed
CN-105753858-A Heterocyclic compound and p27Kip1 degradation inhibitor ASKA制药株式会社 2016-07-13 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
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-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-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
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
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 (4 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-20180222866-A1 TRYPANOSOMES INHIBITORS TPI1, SDHA, SDHB ALPL 4600/4885TP53 4648/4885CA12 4516/4885
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALPL 1/4885TP53 4049/4885CA12 200/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALPL 1/4885TP53 4049/4885CA12 200/4885
US-10377719-B2 Trypanosomes inhibitors TPI1, SDHA, SDHB ALPL 4600/4885TP53 4648/4885CA12 4516/4885

“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.