SCHEMBL3089166

SCHEMBL3089166

NC(=O)c1cccc(C(=O)N2CCN(C(=O)O)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.59
LMNA P02545 3/20 0.59
TSHR P16473 3/20 0.59
USP2 O75604 1/20 0.59
MAPT P10636 1/20 0.59
ALDH1A1 P00352 2/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 2/20 0.53
PARP14 Q460N5 2/20 0.52
PARP10 Q53GL7 2/20 0.52
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL3 Q96JM7 2/20 0.49
HPGD P15428 3/20 0.49
CA12 O43570 1/20 0.47

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
SCHEMBL14786240 0.93 ALDH1A1 (0.62) MAPK1LMNATSHRUSP2MAPT
SCHEMBL367502 0.86 HPGD (0.65) MAPK1LMNATSHRUSP2MAPT
SCHEMBL3226822 0.85 HPGD (0.59) MAPK1LMNATSHRUSP2MAPT
SCHEMBL472245 0.85 HPGD (0.66) MAPK1LMNATSHRUSP2MAPT
SCHEMBL6902996 0.85 HPGD (0.66) MAPK1LMNATSHRUSP2MAPT
SCHEMBL28377650 0.85 HPGD (0.66) MAPK1LMNATSHRUSP2MAPT
SCHEMBL369227 0.85 HPGD (0.66) MAPK1LMNATSHRUSP2MAPT
SCHEMBL538600 0.85 HPGD (0.66) MAPK1LMNATSHRUSP2MAPT
SCHEMBL367274 0.85 HPGD (0.66) MAPK1LMNATSHRUSP2MAPT
SCHEMBL472260 0.85 HPGD (0.66) MAPK1LMNATSHRUSP2MAPT

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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS MAPK1 1990/4885LMNA 1934/4885TSHR 3399/4885

“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.