SCHEMBL4886080

SCHEMBL4886080

COc1ccc(CNC(=O)c2cn[nH]c2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.63
ALDH1A1 P00352 2/20 0.61
TSHR P16473 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
ROCK1 Q13464 6/20 0.59
MAPT P10636 2/20 0.58
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
GAA P10253 2/20 0.54
HPGD P15428 2/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
MAOB P27338 1/20 0.53
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL8759043 0.82 HPGD (0.70) ALDH1A1TSHRNPSR1MAPTTAS1R3
SCHEMBL5413451 0.81 MAPT (0.62) ROCK2ALDH1A1TSHRNPSR1ROCK1
SCHEMBL13450633 0.80 ALDH1A1 (0.60) ROCK2ALDH1A1TSHRNPSR1MAPT
SCHEMBL30856041 0.80 DGAT2 (0.61) ROCK2ALDH1A1TSHRNPSR1MAPT
Boric Acid SCHEMBL6313250 0.79 TAS1R3 (0.65) ALDH1A1TSHRNPSR1MAPTTAS1R3
SCHEMBL5212964 0.78 ALDH1A1 (0.65) ROCK2ALDH1A1TSHRNPSR1MAPT
SCHEMBL13556407 0.78 ALDH1A1 (0.58) ROCK2ALDH1A1TSHRNPSR1MAPT
SCHEMBL18415441 0.78 TAS1R3 (0.67) ALDH1A1TSHRNPSR1MAPTTAS1R3
SCHEMBL2264852 0.77 ALDH1A1 (0.55) ROCK2ALDH1A1TSHRNPSR1MAPT
SCHEMBL5329065 0.77 LMNA (0.60) ROCK2ALDH1A1TSHRNPSR1MAPT

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 ROCK2 4342/4885ALDH1A1 3589/4885TSHR 3666/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 ROCK2 4342/4885ALDH1A1 3589/4885TSHR 3666/4885

“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.