SCHEMBL1998048

SCHEMBL1998048

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
FLT3 P36888 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
LCLAT1 Q6UWP7 1/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
ALDH1A1 P00352 4/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TGFBR1 P36897 2/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL1998051 0.82 MAPT (0.35) MAPTFLT3L3MBTL1SMN1; SMN2NPC1
SCHEMBL1999587 0.79 LMNA (0.44) MAPTL3MBTL1MAPK1ALDH1A1KDM4E
SCHEMBL1995722 0.77 MAPT (0.35) MAPTFLT3L3MBTL1SMN1; SMN2NPC1
SCHEMBL2003026 0.72 GSK3B (0.33) MAPTFLT3ALDH1A1MAPK14LMNA
SCHEMBL5224724 0.71 KMT2A (0.38) MAPTL3MBTL1SMN1; SMN2NPC1MAPK1
SCHEMBL2761238 0.71 LMNA (0.51) MAPTMAPK1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1997591 0.70 LMNA (0.50) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1998216 0.70 LMNA (0.42) MAPTFLT3L3MBTL1SMN1; SMN2NPC1
SCHEMBL5745204 0.69 LMNA (0.36) MAPTFLT3MAPK1PIK3R1PIK3CA
SCHEMBL1998758 0.69 TGFBR1 (0.33) MAPTL3MBTL1SMN1; SMN2NPC1MAPK1

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 3 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
EP-1611094-B1 PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-20 EP 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 2121/4885FLT3 862/4885L3MBTL1 2942/4885

“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.