SCHEMBL4035592

SCHEMBL4035592

COc1ccc(CC(=O)N2CCN(C(=O)c3ccccc3)C(C(=O)NC(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
XIAP P98170 2/20 0.47
BIRC3 Q13489 2/20 0.47
BIRC2 Q13490 2/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
HPGD P15428 4/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
BIRC8 Q96P09 1/20 0.45
HSD17B10 Q99714 2/20 0.45
GPR183 P32249 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44

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
SCHEMBL4036687 0.92 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL4034605 0.80 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL4038814 0.77 AGTR2 (0.44) ALDH1A1LMNAXIAPBIRC3BIRC2
SCHEMBL6270691 0.75 GAA (0.46) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL24665856 0.75 KMT2A (0.46) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL29820531 0.75 KMT2A (0.46) ALDH1A1KMT2AMEN1LMNARAB9A
SCHEMBL4036580 0.74 ACHE (0.56) ALDH1A1KMT2ASMN1; SMN2TSHRRECQL
SCHEMBL4037091 0.74 ENPP2 (0.46) ALDH1A1KMT2AMEN1TSHRMAPT
SCHEMBL4034993 0.73 CACNA2D1 (0.48) ALDH1A1KMT2AMEN1XIAPBIRC3
SCHEMBL31350799 0.71 CACNA2D1 (0.74) ALDH1A1KMT2AMEN1LMNASMN1; SMN2

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

“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.