SCHEMBL4881784

SCHEMBL4881784

CCCc1c([C]=O)c(C)nn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDE4D Q08499 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ABCB1 P08183 2/20 0.40
KDM4E B2RXH2 3/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7314330 0.78 SMN1; SMN2 (0.56) POLBNPC1RAB9APDE4DSMN1; SMN2
SCHEMBL23402622 0.77 USP2 (0.49) POLBNPC1RAB9APDE4DSMN1; SMN2
SCHEMBL31500053 0.76 SMN1; SMN2 (0.58) POLBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19002543 0.73 GAA (0.58) POLBNPC1RAB9APDE4DSMN1; SMN2
SCHEMBL8573833 0.72 NPC1 (0.54) POLBNPC1RAB9APDE4DABCB1
SCHEMBL5209518 0.72 NR4A3 (0.49) POLBRAB9AGAAALDH1A1MAPK1
SCHEMBL23398392 0.71 USP2 (0.49) POLBNPC1RAB9APDE4DUSP2
SCHEMBL12844535 0.70 NPC1 (0.68) POLBNPC1RAB9APDE4DSMN1; SMN2
SCHEMBL13360872 0.69 POLB (0.49) POLBNPC1RAB9APDE4DSMN1; SMN2
SCHEMBL23398432 0.69 POLB (0.49) POLBNPC1RAB9APDE4DSMN1; SMN2

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 POLB 4035/4885NPC1 3322/4885RAB9A 3176/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 POLB 4035/4885NPC1 3322/4885RAB9A 3176/4885

“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.