SCHEMBL2003305

SCHEMBL2003305

CCNCC(c1ccc(-c2ccc(F)cc2)cc1C)c1cn[nH]c1-c1ccco1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
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
METAP2 P50579 1/20 0.32
MCL1 Q07820 1/20 0.31
CYP51A1 Q16850 1/20 0.31
TP53 P04637 1/20 0.31
FLT3 P36888 1/20 0.31
TGFBR1 P36897 1/20 0.31
HTR7 P34969 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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) MAPTL3MBTL1SMN1; SMN2NPC1MAPK1
SCHEMBL1998051 0.84 MAPT (0.35) MAPTL3MBTL1SMN1; SMN2NPC1MAPK1
SCHEMBL1998528 0.78 LMNA (0.42) MAPTL3MBTL1SMN1; SMN2NPC1MAPK1
SCHEMBL1998682 0.75 MAPT (0.35) MAPTL3MBTL1SMN1; SMN2NPC1MAPK1
SCHEMBL1998216 0.71 LMNA (0.42) MAPTL3MBTL1SMN1; SMN2NPC1MAPK1
SCHEMBL1998048 0.69 MAPT (0.36) MAPTL3MBTL1SMN1; SMN2NPC1MAPK1
SCHEMBL1994787 0.69 MAPT (0.33) MAPTL3MBTL1SMN1; SMN2NPC1MAPK1
SCHEMBL2761238 0.68 LMNA (0.51) MAPTMAPK1MCL1KDM4EALDH1A1
SCHEMBL2004264 0.67 HTR1A (0.41) MAPTL3MBTL1SMN1; SMN2NPC1MAPK1
SCHEMBL2006339 0.67 LMNA (0.44) MAPTMCL1TGFBR1ALDH1A1POLB

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 2942/4885SMN1; SMN2 4168/4885

“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.