SCHEMBL4885899

SCHEMBL4885899

NC(=O)n1cc(C(=O)OCCc2ccccc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALKBH1 Q13686 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
LMNA P02545 1/20 0.42
MMP1 P03956 1/20 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
SCHEMBL8509711 0.75 SMN1; SMN2 (0.49) NPC1RAB9AESR1ESR2L3MBTL1
SCHEMBL4459400 0.75 ESR1 (0.86) NPC1RAB9AESR1ESR2L3MBTL1
Phenethyl Benzoate SCHEMBL4351681 0.75 ESR1 (0.80) NPC1RAB9AESR1ESR2L3MBTL1
Phenethyl Benzoate SCHEMBL168823 0.75 ESR1 (0.80) NPC1RAB9AESR1ESR2L3MBTL1
SCHEMBL27352508 0.73 NPC1 (0.57) NPC1RAB9AESR1ESR2L3MBTL1
SCHEMBL453470 0.71 NPC1 (1.00) NPC1RAB9AESR1ESR2L3MBTL1
SCHEMBL19439130 0.71 ESR1 (0.69) NPC1RAB9AESR1ESR2L3MBTL1
SCHEMBL23075912 0.71 PLA2G10 (0.47) ALDH1A1LMNAKMT2A
SCHEMBL14219781 0.71 LMNA (0.73) NPC1RAB9AESR1ESR2L3MBTL1
SCHEMBL27327003 0.70 L3MBTL1 (0.69) NPC1RAB9AESR1ESR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 NPC1 3322/4885RAB9A 3176/4885ESR1 4046/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 NPC1 3322/4885RAB9A 3176/4885ESR1 4046/4885

“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.