SCHEMBL2859757

SCHEMBL2859757

N#Cc1cc(F)c(F)c(C(=O)c2cccc(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MAPK14 Q16539 1/20 0.43
PARP1 P09874 1/20 0.42
VNN1 O95497 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2864628 0.83 NPC1 (0.46) CES2CES1MAPK14SMN1; SMN2
SCHEMBL2857473 0.81 HSD17B14 (0.50) CES2CES1CYP3A4SMN1; SMN2
SCHEMBL2857642 0.78 CES2 (0.49) CES2CES1PARP1HDAC1HDAC6
SCHEMBL27536129 0.77 CES2 (0.51) CES2CES1MAPK14PARP1HDAC1
SCHEMBL2858165 0.75 CES2 (0.50) CES2CES1MAPK14PARP1VNN1
SCHEMBL1513045 0.75 CES2 (0.57) CES2CES1MAPK14PARP1HDAC1
SCHEMBL2865154 0.74 CES2 (0.51) CES2CES1PARP1VNN1HDAC1
SCHEMBL31171336 0.73 MAP2K1 (0.41) CES2CES1
SCHEMBL1258944 0.72 CES2 (0.74) CES2CES1PARP1HDAC1HDAC6
SCHEMBL27536109 0.72 CES2 (0.53) CES2CES1PARP1VNN1HDAC1

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 2628/4885MAPK14 4/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 CES2 2078/4885CES1 2327/4885MAPK14 2/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CES2 2171/4885CES1 2628/4885MAPK14 4/4885

“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.