SCHEMBL2862830

SCHEMBL2862830

COC(=O)n1ncc2c(F)cccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.49
RAB9A P51151 11/20 0.49
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
SYK P43405 1/20 0.43
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
SCN9A Q15858 1/20 0.38
TP53 P04637 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
SCHEMBL5692763 0.82 NPC1 (0.45) NPC1RAB9AKMT2AMEN1SYK
SCHEMBL23604249 0.82 NPC1 (0.55) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL1857119 0.82 NPC1 (0.45) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL11888091 0.79 KMT2A (0.46) NPC1RAB9AKMT2AMEN1SYK
SCHEMBL11949099 0.77 ALDH1A1 (0.46) NPC1RAB9AKMT2AMEN1
SCHEMBL1856772 0.77 CREBBP (0.47) NPC1RAB9AKMT2AMEN1
SCHEMBL6066037 0.75 CREBBP (0.45) NPC1RAB9AKMT2AMEN1
SCHEMBL4048871 0.74 ELANE (0.52) NPC1RAB9AKMT2AMEN1SYK
SCHEMBL1858331 0.73 KMT2A (0.41) NPC1RAB9AKMT2AMEN1
SCHEMBL287396 0.73 TRPV1 (0.48) NPC1RAB9AKMT2AMEN1

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 7 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
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-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN 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 2355/4885KMT2A 2212/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 NPC1 1171/4885RAB9A 2697/4885KMT2A 2834/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 NPC1 1164/4885RAB9A 2355/4885KMT2A 2212/4885

“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.