SCHEMBL2867334

SCHEMBL2867334

COc1cc(F)c(C(=O)c2cccc(F)c2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 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
SCHEMBL2866787 0.83 CES2 (0.50) NPC1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL2857712 0.82 CES2 (0.46) NPC1RAB9ASMN1; SMN2LMNACYP1A2
SCHEMBL2857587 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL14415716 0.79 RAB9A (0.70) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL5520271 0.76 RAB9A (0.61) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL10959090 0.75 MAPT (0.58) RAB9ASMN1; SMN2LMNACYP1A2CYP2D6
SCHEMBL2860696 0.75 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL8806677 0.75 CYP1A2 (0.55) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL15628210 0.75 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL9958729 0.75 HTT (0.46) RAB9ASMN1; SMN2LMNACYP1A2CYP2D6

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.