SCHEMBL2861875

SCHEMBL2861875

N#Cc1cc(C(=O)c2ccc3ccccc3c2)c(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 1/20 0.51
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CNR2 P34972 1/20 0.40
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL27536100 0.84 HSD17B14 (0.63) HSD17B14CES2CES1MEN1KMT2A
SCHEMBL4079787 0.81 HSD17B14 (0.55) HSD17B14CES2CES1MEN1KMT2A
SCHEMBL2858165 0.80 CES2 (0.50) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL2856111 0.78 HSD17B14 (0.55) HSD17B14CES2CES1MEN1KMT2A
SCHEMBL4145394 0.77 HSD17B14 (0.48) HSD17B14CES2CES1MEN1KMT2A
SCHEMBL2857473 0.77 HSD17B14 (0.50) HSD17B14CES2CES1MEN1KMT2A
SCHEMBL9487939 0.75 HSD17B14 (0.57) HSD17B14CES2CES1MEN1KMT2A
SCHEMBL2866906 0.75 CNR1 (0.52) MEN1KMT2AMAPTCA1CA2
SCHEMBL4146338 0.72 HSD17B14 (0.45) HSD17B14CES2CES1MEN1KMT2A
SCHEMBL4139690 0.71 HSD17B14 (0.54) HSD17B14CES2CES1MEN1KMT2A

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 HSD17B14 1381/4885CES2 2171/4885CES1 2628/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 HSD17B14 816/4885CES2 2078/4885CES1 2327/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 HSD17B14 1381/4885CES2 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.