SCHEMBL1608472

SCHEMBL1608472

Fc1ccc(-c2ccc(-c3cc(-c4ccc(F)cc4)[nH]n3)cc2)cc1

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
POLB P06746 1/20 0.62
NPC1 O15118 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALOX15 P16050 2/20 0.58
AXL P30530 1/20 0.58
KEAP1 Q14145 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
APP P05067 1/20 0.54
CA12 O43570 1/20 0.54
ALPL P05186 1/20 0.54
RPA1 P27694 1/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL14985510 0.98 RAB9A (0.64) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL25430210 0.91 RAB9A (0.79) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL19131260 0.91 RAB9A (0.79) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL1250289 0.89 NPC1 (0.55) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL9047596 0.89 MAPT (0.66) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL9049682 0.89 MAPT (0.66) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL1251703 0.85 APP (0.52) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL8490480 0.85 AXL (0.64) RAB9APOLBNPC1MEN1KMT2A
SCHEMBL1607990 0.85 RAB9A (0.84) RAB9ANPC1MEN1KMT2AALOX15
SCHEMBL1608926 0.85 RAB9A (0.52) RAB9APOLBNPC1MEN1KMT2A

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
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US claimed
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 (1 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-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles APP, PSEN1, BACE1 RAB9A 4026/4885POLB 4594/4885NPC1 129/4885

“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.