SCHEMBL3086785

SCHEMBL3086785

CCOC(=O)c1ccc2nc(NC(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)sc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.76
SMN1; SMN2 Q16637 7/20 0.60
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
ALDH1A1 P00352 4/20 0.60
HPGD P15428 3/20 0.60
MAPT P10636 3/20 0.60
GAA P10253 2/20 0.60
ALPL P05186 1/20 0.60
STAT1 P42224 1/20 0.58
KDM4E B2RXH2 5/20 0.55
LMNA P02545 2/20 0.54
HSD17B10 Q99714 4/20 0.54
TP53 P04637 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
USP2 O75604 2/20 0.53
ACP1 P24666 1/20 0.52
MEN1 O00255 2/20 0.52

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
SCHEMBL28465 0.86 HPGDS (1.00) HPGDSNPC1RAB9ALMNAMEN1
SCHEMBL3086884 0.86 HPGDS (0.79) HPGDSSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL3090814 0.86 HPGDS (0.78) HPGDSSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13148071 0.85 HPGDS (0.76) HPGDSSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27466 0.84 HPGDS (1.00) HPGDSSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28556 0.84 HPGDS (1.00) HPGDSSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL28223 0.83 HPGDS (1.00) HPGDSSMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL28379 0.83 HPGDS (1.00) HPGDSNPC1RAB9AALDH1A1MAPT
SCHEMBL13148063 0.83 HPGDS (0.79) HPGDSSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL3087846 0.82 HPGDS (0.78) HPGDSSMN1; SMN2NPC1RAB9AALDH1A1

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 9 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
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
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
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 HPGDS 1/4885SMN1; SMN2 1866/4885NPC1 2733/4885

“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.