SCHEMBL4033608

SCHEMBL4033608

CCCCCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)N3CCCCC3CO)C2)c(=O)o1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 4/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCRTR1 O43613 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6209492 0.92 ALOX15 (0.41) ALOX15TSHRMAPK1ALDH1A1GFER
SCHEMBL1386085 0.81 MAPK1 (0.51) TSHRMAPK1ALDH1A1GFERKMT2A
SCHEMBL1381941 0.80 PKM (0.54) ALOX15TSHRMAPK1ALDH1A1GFER
SCHEMBL6209732 0.79 ALDH1A1 (0.45) ALOX15TSHRMAPK1ALDH1A1GFER
SCHEMBL4034713 0.78 ALDH1A1 (0.44) MAPK1ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL4037876 0.68 ALDH1A1 (0.46) ALOX15MAPK1ALDH1A1KMT2AMEN1
SCHEMBL4034716 0.66 P2RX7 (0.42)
SCHEMBL7090151 0.66 EPHX2 (0.41) TSHRALDH1A1KMT2AMEN1HTT
SCHEMBL4035414 0.65 MAPK1 (0.41) MAPK1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL7850968 0.65 L3MBTL1 (0.51) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US claimed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R ALOX15 1174/4885TSHR 1619/4885MAPK1 3742/4885

“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.