SCHEMBL5876431

SCHEMBL5876431

ON=C(c1n[nH]c2c1C=CC(c1ccccc1)C2)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.40
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 4/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
PRKACA P17612 1/20 0.30
LTK P29376 1/20 0.30

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
SCHEMBL5876427 1.00 HCAR2 (0.40) HCAR2NPC1RAB9ALMNAHPGD
SCHEMBL5876200 0.95 HCAR2 (0.39) HCAR2NPC1RAB9ALMNAHPGD
SCHEMBL5876205 0.95 HCAR2 (0.39) HCAR2NPC1RAB9ALMNAHPGD
SCHEMBL6615884 0.94 HCAR2 (0.41) HCAR2NPC1RAB9A
SCHEMBL5877819 0.87 HCAR2 (0.36) HCAR2NPC1RAB9ALMNAHPGD
SCHEMBL5877821 0.87 HCAR2 (0.36) HCAR2NPC1RAB9ALMNAHPGD
SCHEMBL5877555 0.83 HCAR2 (0.34) HCAR2NPC1RAB9ALMNAHPGD
SCHEMBL5877551 0.83 HCAR2 (0.34) HCAR2NPC1RAB9ALMNAHPGD
SCHEMBL5878112 0.83 HCAR2 (0.44) HCAR2NPC1RAB9A
SCHEMBL5876727 0.79 HCAR2 (0.43) HCAR2NPC1RAB9ALMNAMAPK10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 US 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 (1 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT HCAR2 398/4885NPC1 257/4885RAB9A 2565/4885

“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.