SCHEMBL4035586

SCHEMBL4035586

C=CCNC(=O)[C@H]1CNCCN1S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
GAA P10253 3/20 0.52
POLB P06746 2/20 0.52
TSHR P16473 4/20 0.52
GFER P55789 1/20 0.52
MAPT P10636 4/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
HCRTR1 O43613 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 1/20 0.51
TP53 P04637 2/20 0.49
THRB P10828 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
Hydrochloric Acid SCHEMBL1380566 0.99 ALDH1A1 (0.51) ALDH1A1GAAPOLBTSHRGFER
SCHEMBL4037427 0.84 TSHR (0.52) ALDH1A1GAAPOLBTSHRGFER
SCHEMBL5634710 0.81 TSHR (0.54) ALDH1A1GAAPOLBTSHRGFER
SCHEMBL14499802 0.79 ALDH1A1 (0.51) ALDH1A1GAAPOLBTSHRGFER
SCHEMBL4037270 0.79 ALDH1A1 (0.51) ALDH1A1GAAPOLBTSHRGFER
SCHEMBL4035463 0.79 GAA (0.53) ALDH1A1GAAPOLBTSHRGFER
SCHEMBL4036669 0.78 ALDH1A1 (0.49) ALDH1A1GAATSHRGFERHPGD
Hydrochloric Acid SCHEMBL4365526 0.78 ALDH1A1 (0.49) ALDH1A1GAAPOLBTSHRGFER
SCHEMBL4033037 0.78 SMN1; SMN2 (0.49) ALDH1A1GAAPOLBTSHRGFER
SCHEMBL4035900 0.78 SMN1; SMN2 (0.49) ALDH1A1GAAPOLBTSHRGFER

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-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US 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 ALDH1A1 610/4885GAA 4649/4885POLB 1416/4885

“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.