SCHEMBL1607990

SCHEMBL1607990

COc1ccc(-c2cc(-c3ccc(F)cc3)n[nH]2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.84
NPC1 O15118 7/20 0.84
MAPT P10636 4/20 0.84
MAPK1 P28482 1/20 0.84
MEN1 O00255 7/20 0.71
KMT2A Q03164 7/20 0.71
ALOX15 P16050 4/20 0.71
USP2 O75604 1/20 0.71
LMNA P02545 3/20 0.61
KDM4E B2RXH2 3/20 0.61
GAA P10253 1/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
ADORA3 P0DMS8 1/20 0.58
ALOX12 P18054 1/20 0.58
DYRK1A Q13627 1/20 0.58

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
SCHEMBL1181434 0.92 RAB9A (1.00) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL14985510 0.87 RAB9A (0.64) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL7260004 0.86 RAB9A (0.87) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL14997979 0.86 RAB9A (0.87) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL1607536 0.85 MAPT (0.70) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL1608239 0.85 NPC1 (0.64) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL1608028 0.85 RAB9A (0.74) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL1608472 0.85 RAB9A (0.62) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL1608422 0.84 RAB9A (0.84) RAB9ANPC1MAPTMAPK1MEN1
SCHEMBL9050226 0.84 RAB9A (0.84) RAB9ANPC1MAPTMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US claimed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
WO-2009146343-A1 NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES MERCK & CO., INC. (US) 2009-12-03 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B RAB9A 4038/4885NPC1 2614/4885MAPT 3677/4885
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles APP, PSEN1, BACE1 RAB9A 4026/4885NPC1 129/4885MAPT 7/4885

“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.