SCHEMBL2860046

SCHEMBL2860046

O=C(c1cc2ccccc2s1)c1cc(Br)c(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
DYRK1A Q13627 4/20 0.50
CLK1 P49759 3/20 0.50
DYRK1B Q9Y463 3/20 0.50
BCL2L1 Q07817 1/20 0.50
SLC9A1 P19634 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL23221133 0.83 DYRK1A (0.57) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL2866906 0.80 CNR1 (0.52) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL16018626 0.78 CNR1 (0.56) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL31356465 0.77 BCL2L1 (0.74) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL6321234 0.77 BCL2L1 (0.74) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL6546462 0.74 LMNA (0.49) HDAC1L3MBTL1CASP3SENP7SENP6
SCHEMBL11826013 0.73 CNR1 (0.69) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL14124807 0.73 CNR1 (0.69) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL16018623 0.73 CNR1 (0.50) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL2856111 0.72 HSD17B14 (0.55) DYRK1ACLK1DYRK1BRAB9AEGFR

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 CNR1 105/4885CNR2 167/4885HDAC3 51/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 CNR1 132/4885CNR2 277/4885HDAC3 48/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CNR1 105/4885CNR2 167/4885HDAC3 51/4885

“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.