SCHEMBL1998051

SCHEMBL1998051

CCNCC(c1cc(F)c(-c2ccc(F)cc2)c(F)c1)c1cn[nH]c1-c1ccco1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DCAF1 Q9Y4B6 1/20 0.32
FLT3 P36888 1/20 0.31
LCLAT1 Q6UWP7 1/20 0.31
UBE2I P63279 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
ADORA2A P29274 1/20 0.31
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL1998758 0.85 TGFBR1 (0.33) MAPTL3MBTL1NPC1MAPK1RAB9A
SCHEMBL2003305 0.84 MAPT (0.34) MAPTL3MBTL1NPC1MAPK1RAB9A
SCHEMBL1998048 0.82 MAPT (0.36) MAPTL3MBTL1NPC1MAPK1RAB9A
SCHEMBL1999587 0.77 LMNA (0.44) MAPTL3MBTL1MAPK1
SCHEMBL1995722 0.75 MAPT (0.35) MAPTL3MBTL1NPC1MAPK1RAB9A
SCHEMBL2003026 0.70 GSK3B (0.33) MAPTFLT3
SCHEMBL2761238 0.69 LMNA (0.51) MAPTMAPK1CACNA1B
Hydrochloric Acid SCHEMBL1997591 0.68 LMNA (0.50) MAPTSMN1; SMN2
SCHEMBL1998216 0.68 LMNA (0.42) MAPTL3MBTL1NPC1MAPK1RAB9A
SCHEMBL5745204 0.67 LMNA (0.36) MAPTMAPK1FLT3PIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960413-B2 Pyrazole compounds MERCK PATENT GMBH (DE) 2011-06-14 US disclosed
US-20060276650-A1 Pyrazole compounds MERCK PATENT GMBH (DE) 2006-12-07 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 (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-20060276650-A1 Pyrazole compounds HTR1D, HTR1A, HTR3A MAPT 2121/4885L3MBTL1 2942/4885NPC1 1861/4885

“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.