SCHEMBL1998528

SCHEMBL1998528

CCN1CCN(C(c2ccc(-c3ccc(F)cc3)cc2C)c2cn[nH]c2-c2ccco2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPT P10636 7/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR7 P34969 1/20 0.33
ACHE P22303 1/20 0.32
METAP2 P50579 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1998216 0.92 LMNA (0.42) LMNAMAPTPOLBNPSR1GAA
SCHEMBL1998682 0.91 MAPT (0.35) LMNAMAPTPOLBNPSR1HRH3
SCHEMBL2761238 0.88 LMNA (0.51) LMNAMAPTPOLBNPSR1GAA
Hydrochloric Acid SCHEMBL1997591 0.87 LMNA (0.50) LMNAMAPTPOLBNPSR1GAA
SCHEMBL2006339 0.85 LMNA (0.44) LMNAMAPTPOLBNPSR1GAA
SCHEMBL2761282 0.85 LMNA (0.42) LMNAMAPTPOLBNPSR1GAA
SCHEMBL1999587 0.85 LMNA (0.44) LMNAMAPTPOLBNPSR1GAA
SCHEMBL1998346 0.84 GSK3B (0.34) LMNAMAPTL3MBTL1MAPK1NPC1
SCHEMBL1994787 0.83 MAPT (0.33) LMNAMAPTPOLBNPSR1GAA
SCHEMBL2001837 0.81 LMNA (0.43) LMNAMAPTPOLBNPSR1GAA

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 LMNA 3297/4885MAPT 2121/4885POLB 4167/4885

“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.