SCHEMBL277129

SCHEMBL277129

NNC(=O)c1ccc(C(=O)NCCN2CCCC2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.47
GLA P06280 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46

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
SCHEMBL277558 0.87 MEN1 (0.64) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL277183 0.86 POLB (0.56) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL279975 0.84 NPSR1 (0.58) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL12124293 0.83 NPSR1 (0.57) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL280406 0.80 MEN1 (0.76) ALDH1A1CYP2D6MEN1KMT2AL3MBTL1
SCHEMBL8183430 0.78 AOC3 (0.45) ALDH1A1CYP1A2CYP2D6CYP2C9POLB
SCHEMBL8578460 0.78 HASPIN (0.49) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL8592462 0.78 CD274 (0.58) ALDH1A1CYP1A2CYP2D6POLBMEN1
SCHEMBL4929843 0.77 HDAC3 (0.56) ALDH1A1NPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL6578561 0.76 HRH3 (0.53) ALDH1A1POLBL3MBTL1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 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 (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-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL ALDH1A1 2047/4885NPSR1 168/4885CYP1A2 2411/4885

“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.