SCHEMBL5528138

SCHEMBL5528138

COc1ccc(-n2nc(C(=O)N(C)OC)cc2-c2ccc(C)cn2)nn1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
OXTR P30559 11/20 0.34
AVPR1A P37288 5/20 0.34
ALOX5 P09917 1/20 0.34
MAOB P27338 2/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
TSPO P30536 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
AVPR2 P30518 2/20 0.30
MALT1 Q9UDY8 1/20 0.30
NPC1 O15118 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 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
SCHEMBL5529681 0.92 MALT1 (0.38) ALDH1A1TSHROXTRAVPR1AALOX5
SCHEMBL5525755 0.89 ALDH1A1 (0.37) ALDH1A1TSHROXTRAVPR1AALOX5
SCHEMBL5529157 0.88 ALDH1A1 (0.34) ALDH1A1TSHROXTRAVPR1AALOX5
SCHEMBL5525424 0.87 TDP1 (0.38) ALDH1A1TSHROXTRAVPR1AALOX5
SCHEMBL5265509 0.86 ALDH1A1 (0.41) ALDH1A1TSHRALOX5MAOB
SCHEMBL5530217 0.86 ALDH1A1 (0.35) ALDH1A1TSHROXTRAVPR1AALOX5
SCHEMBL5528601 0.85 TSPO (0.37) ALDH1A1TSHROXTRAVPR1AALOX5
SCHEMBL5267019 0.83 CA9 (0.42) ALDH1A1TSHRRAB9A
SCHEMBL5272053 0.80 CFTR (0.42) ALDH1A1ALOX5KDM4E
SCHEMBL5527560 0.79 ALDH1A1 (0.35) ALDH1A1TSHROXTRAVPR1AALOX5

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
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 ALDH1A1 171/4885TSHR 3156/4885OXTR 1114/4885

“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.