SCHEMBL3945905

SCHEMBL3945905

CCn1nc(C(=O)O)c(F)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
BLM P54132 2/20 0.40
TSHR P16473 1/20 0.40
PMP22 Q01453 1/20 0.40
HCAR2 Q8TDS4 4/20 0.40
HTT P42858 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
GAA P10253 2/20 0.33
POLB P06746 2/20 0.32
P2RX7 Q99572 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14768604 0.81 NPC1 (0.47) NPC1KDM4EALDH1A1LMNABLM
SCHEMBL19207513 0.77 POLB (0.60) NPC1KDM4EALDH1A1LMNAGAA
SCHEMBL10338636 0.74 ALDH1A1 (0.41) NPC1KDM4EALDH1A1LMNABLM
SCHEMBL23147082 0.73 ALDH1A1 (0.44) KDM4EALDH1A1LMNABLMTSHR
SCHEMBL23459569 0.72 NPC1 (0.36) NPC1KDM4EALDH1A1LMNABLM
SCHEMBL23757851 0.70 NPC1 (0.44) NPC1KDM4EALDH1A1LMNABLM
SCHEMBL21753564 0.70 NPC1 (0.44) NPC1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL11690283 0.70 NPC1 (0.44) NPC1KDM4EALDH1A1LMNABLM
SCHEMBL10721811 0.70 KDM4E (0.49) NPC1KDM4EALDH1A1LMNABLM
SCHEMBL23130781 0.69 NPC1 (0.67) NPC1HCAR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551403-B1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA ARENA PHARM INC (US) 2009-04-29 EP disclosed
US-20060167270-A1 5-substituted 2h-pyrazone-3-carbixylic acid derivatives as antilipolytic agents for the treatment of metabolic-related disorders such as dyslipidemia ARENA PHARMACEUTICALS INC. (US) 2006-07-27 US disclosed
EP-1551403-A1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA Arena Pharmaceuticals, Inc. (US) 2005-07-13 EP disclosed
WO-2004032928-A1 5-SUBSTITUTED 2H-PYRAZONE-3-CARBOXYLIC ACID DERIVATIVES AS ANTILIPOLYTIC AGENTS FOR THE TREATMENT OF METABOLIC-RELATED DISORDERS SUCH AS DYSLIPIDEMIA ARENA PHARMACEUTICALS, INC. (US) 2004-04-22 WO 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-20060167270-A1 5-substituted 2h-pyrazone-3-carbixylic acid derivatives as antilipolytic agents for the treatment of metabolic-related disorders such as dyslipidemia ACE, ACE2, AGTR2 NPC1 869/4885KDM4E 2712/4885ALDH1A1 320/4885

“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.