SCHEMBL3093683

SCHEMBL3093683

O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(O)=S)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.77
KDM4E B2RXH2 1/20 0.69
KMT2A Q03164 2/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
CA14 Q9ULX7 1/20 0.65
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.64
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 3/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.59
MGLL Q99685 2/20 0.58
APOBEC3G Q9HC16 1/20 0.57
HSD11B1 P28845 1/20 0.57
SLC6A9 P48067 1/20 0.57

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
SCHEMBL3086635 0.89 RXFP1 (0.81) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL1879807 0.85 RXFP1 (0.91) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL530767 0.84 RXFP1 (0.79) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL3093675 0.84 RXFP1 (0.79) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL520448 0.83 RXFP1 (0.71) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL520435 0.82 KDM4E (1.00) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL15271998 0.82 RXFP1 (0.74) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL30568796 0.82 KDM4E (1.00) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL16207564 0.82 RXFP1 (0.74) RXFP1KDM4EKMT2ACA12CA1
SCHEMBL15272028 0.82 RXFP1 (0.74) RXFP1KDM4EKMT2ACA12CA1

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 RXFP1 1460/4885KDM4E 3580/4885KMT2A 3378/4885

“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.