SCHEMBL3098809

SCHEMBL3098809

CC(=O)Nc1ccc2nc(C(N)=O)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.68
LMNA P02545 1/20 0.60
MAPT P10636 8/20 0.59
RAB9A P51151 6/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 2/20 0.59
PKM P14618 1/20 0.59
RECQL P46063 1/20 0.57
DYRK1A Q13627 1/20 0.56
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
HTT P42858 1/20 0.55
ILK Q13418 1/20 0.54
CA2 P00918 1/20 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
SCHEMBL558100 0.82 LDHA (0.71) LDHALMNAMAPTRAB9AMEN1
SCHEMBL3923955 0.81 LDHA (1.00) LDHAMAPTRAB9AMEN1KMT2A
SCHEMBL9795875 0.81 CA2 (0.73) LDHACA2
SCHEMBL8404877 0.80 LDHA (0.60) LDHALMNAMAPTRAB9AMEN1
SCHEMBL27328843 0.80 LMNA (0.70) LDHALMNAMAPTRAB9AMEN1
SCHEMBL1747915 0.79 LDHA (0.71) LDHALMNAMAPTRAB9AMEN1
SCHEMBL2340714 0.79 LDHA (0.71) LDHALMNAMAPTRAB9AMEN1
SCHEMBL3093606 0.78 RAB9A (0.70) LMNAMAPTRAB9AMEN1KMT2A
SCHEMBL3093869 0.77 RAB9A (0.57) LMNAMAPTRAB9AMEN1KMT2A
SCHEMBL12963893 0.77 LDHA (0.68) LDHALMNAMAPTRAB9AMEN1

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 LDHA 2026/4885LMNA 1934/4885MAPT 4774/4885

“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.