SCHEMBL2857587

SCHEMBL2857587

COc1cc(F)c(C(=O)c2cccc(F)c2)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 4/20 0.42
IMPDH2 P12268 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
DHODH Q02127 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
SCHEMBL2858165 0.84 CES2 (0.50) NPC1RAB9ASMN1; SMN2LMNACES2
SCHEMBL4326892 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNACES2
SCHEMBL2867334 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL2865103 0.80 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL2864628 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL14415716 0.76 RAB9A (0.70) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL4317392 0.75 CES2 (0.49) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL2865154 0.74 CES2 (0.51) NPC1RAB9ASMN1; SMN2CES2CES1
SCHEMBL27536129 0.74 CES2 (0.51) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL5359509 0.73 RAB9A (0.61) NPC1RAB9ASMN1; SMN2LMNAPKM

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 NPC1 1164/4885RAB9A 2355/4885SMN1; SMN2 4812/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 NPC1 1171/4885RAB9A 2697/4885SMN1; SMN2 4781/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 NPC1 1164/4885RAB9A 2355/4885SMN1; SMN2 4812/4885

“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.