SCHEMBL5533744

SCHEMBL5533744

CCN(C)C(=O)c1cc(-c2ccc(OCC(N)=O)cn2)n(-c2ccc(OC)nn2)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
TBXAS1 P24557 1/20 0.31
NNMT P40261 1/20 0.31
POLB P06746 1/20 0.30
BLM P54132 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
AVPR1A P37288 1/20 0.30
CHRNA7 P36544 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
SCHEMBL5522027 0.89 OXTR (0.39) OXTRPOLBBLMTDP1AVPR1A
SCHEMBL5526239 0.86 MDM2 (0.41) MEN1KMT2ATDP1
SCHEMBL5527560 0.85 ALDH1A1 (0.35) OXTRALDH1A1TSHRNPC1RECQL
SCHEMBL5525755 0.85 ALDH1A1 (0.37) OXTRALDH1A1TSHRMEN1KMT2A
SCHEMBL5520987 0.85 CYP11B1 (0.34) OXTRALDH1A1TSHRNPC1RECQL
SCHEMBL5525761 0.83 OXTR (0.42) OXTRALDH1A1TSHRAVPR1A
SCHEMBL5520945 0.81 POLB (0.35) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL5529723 0.80 ALDH1A1 (0.31) OXTRALDH1A1TSHRCHRNA7
SCHEMBL5525576 0.79 NTRK1 (0.33) ALDH1A1TSHR
SCHEMBL5529728 0.79 ALOX5 (0.32) ALDH1A1TSHR

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 OXTR 1114/4885ALDH1A1 171/4885TSHR 3156/4885

“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.