SCHEMBL2865154

SCHEMBL2865154

N#Cc1ccc(F)c(C(=O)c2cccc(F)c2)c1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.51
CES1 P23141 2/20 0.51
PARP1 P09874 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CNR2 P34972 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.39
PLA2G7 Q13093 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
VNN1 O95497 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL27536109 0.83 CES2 (0.53) CES2CES1PARP1HDAC1HDAC6
SCHEMBL2865103 0.82 NPC1 (0.46) CES2CES1PARP1CNR2ALDH1A1
SCHEMBL27536129 0.82 CES2 (0.51) CES2CES1PARP1HDAC1HDAC6
SCHEMBL2858165 0.78 CES2 (0.50) CES2CES1PARP1HDAC1HDAC6
SCHEMBL4317392 0.77 CES2 (0.49) CES2CES1PARP1HDAC1HDAC6
SCHEMBL17202425 0.75 NOTUM (0.38) CES2CES1CNR2HSD17B1HSD17B2
SCHEMBL30745055 0.75 NOTUM (0.38) CES2CES1CNR2HSD17B1HSD17B2
SCHEMBL2857587 0.74 NPC1 (0.46) CES2CES1ALDH1A1NPC1RAB9A
SCHEMBL1258944 0.74 CES2 (0.74) CES2CES1PARP1HDAC1HDAC6
SCHEMBL2859757 0.74 CES2 (0.45) CES2CES1PARP1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 (3 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CES2 2171/4885CES1 2628/4885PARP1 2269/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 CES2 2078/4885CES1 2327/4885PARP1 2343/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CES2 2171/4885CES1 2628/4885PARP1 2269/4885

“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.