SCHEMBL2860775

SCHEMBL2860775

O=C(O)c1ccc(F)c(C(=O)c2cccc(F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
PARP1 P09874 1/20 0.47
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NR4A2 P43354 2/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 2/20 0.43
SRD5A2 P31213 1/20 0.43
IGFBP3 P17936 1/20 0.43
MEN1 O00255 1/20 0.42
KCNK3 O14649 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL28396 0.82 CES2 (0.71) CES2CES1L3MBTL1PARP1HSD17B10
SCHEMBL13950378 0.82 CES2 (0.71) CES2CES1L3MBTL1PARP1HSD17B10
SCHEMBL29665004 0.82 CES2 (0.71) CES2CES1L3MBTL1PARP1HSD17B10
SCHEMBL2863967 0.82 KMT2A (0.53) KDM4ECES2CES1L3MBTL1HDAC1
SCHEMBL31052933 0.81 TDP1 (0.57) KDM4EL3MBTL1CDC25ACDC25BHSD17B10
Hydrochloric Acid SCHEMBL30596526 0.80 CES2 (0.68) CES2CES1L3MBTL1PARP1HSD17B10
SCHEMBL11459100 0.80 CES2 (0.68) CES2CES1L3MBTL1PARP1HSD17B10
Lithium SCHEMBL30901907 0.80 CES2 (0.68) CES2CES1L3MBTL1PARP1HSD17B10
Hydrochloric Acid SCHEMBL5777634 0.80 CES2 (0.68) CES2CES1L3MBTL1PARP1HSD17B10
SCHEMBL28208655 0.80 CES2 (0.68) CES2CES1L3MBTL1PARP1HSD17B10

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 10 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
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN 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
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN 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 KDM4E 2531/4885CES2 2171/4885CES1 2628/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 KDM4E 2430/4885CES2 2078/4885CES1 2327/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KDM4E 2531/4885CES2 2171/4885CES1 2628/4885

“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.