SCHEMBL644698

SCHEMBL644698

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.72
MAPT P10636 7/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
ALPL P05186 9/20 0.64
RAB9A P51151 3/20 0.62
POLB P06746 1/20 0.62
NPC1 O15118 2/20 0.60
LMNA P02545 1/20 0.60
PLK1 P53350 1/20 0.55
HPGDS O60760 1/20 0.54
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.51
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
CHEK1 O14757 1/20 0.50
RET P07949 1/20 0.50
PDGFRB P09619 1/20 0.50
PIM1 P11309 1/20 0.50

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 0.84 ALPL (0.76) GAAMAPTSMN1; SMN2ALPLRAB9A
SCHEMBL646099 0.84 GAA (1.00) GAAMAPTSMN1; SMN2ALPLRAB9A
SCHEMBL644902 0.83 MAPT (0.72) GAAMAPTSMN1; SMN2ALPLRAB9A
Hydrochloric Acid SCHEMBL1314014 0.82 GAA (0.97) GAAMAPTSMN1; SMN2ALPLRAB9A
SCHEMBL647118 0.82 TP53 (0.71) GAASMN1; SMN2ALPLHPGDSTP53
SCHEMBL2851298 0.81 SCN9A (0.54) GAAMAPTSMN1; SMN2ALPLRAB9A
SCHEMBL14152591 0.79 MAPT (0.77) GAAMAPTSMN1; SMN2ALPLRAB9A
SCHEMBL13539290 0.78 ALPL (1.00) GAAMAPTSMN1; SMN2ALPLRAB9A
SCHEMBL4788746 0.77 GAA (0.75) GAAMAPTSMN1; SMN2ALPLRAB9A
SCHEMBL3600380 0.76 GAA (0.65) GAAMAPTSMN1; SMN2ALPLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970274-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-03-01 EP disclosed
EP-2970274-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-03-01 EP disclosed
US-9527842-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2016-12-27 US disclosed
US-9527842-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2016-12-27 US disclosed
US-9527842-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2016-12-27 US disclosed
US-20160024077-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-01-28 US disclosed
US-20160024077-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-01-28 US disclosed
US-20160024077-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-01-28 US disclosed
EP-2970274-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
WO-2014159959-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 WO disclosed
WO-2014159959-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 WO 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
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 (3 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 40/4885MAPT 3950/4885SMN1; SMN2 4792/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI GAA 40/4885MAPT 3950/4885SMN1; SMN2 4792/4885
US-20160024077-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, RTF2, MAVS GAA 274/4885MAPT 2586/4885SMN1; SMN2 3068/4885

“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.