SCHEMBL4035013

SCHEMBL4035013

O=C(NCc1ccc(F)cc1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4032756 0.94 ALDH1A1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL4036042 0.88 PKM (0.53) ALDH1A1SMN1; SMN2PKMRAB9ATP53
SCHEMBL6188761 0.86 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL4035588 0.84 ALDH1A1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL1382447 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL4038120 0.83 GAA (0.49) MEN1KMT2AALDH1A1
SCHEMBL4032832 0.82 MEN1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL4038593 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2PKMRAB9APOLB
SCHEMBL4032579 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLB
SCHEMBL4033588 0.80 USP2 (0.54) ALDH1A1SMN1; SMN2PKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 4821/4885KMT2A 396/4885ALDH1A1 610/4885

“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.