SCHEMBL3080673

SCHEMBL3080673

Cc1ccc(NC(=S)N2CCN(C(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
LMNA P02545 2/20 0.69
POLB P06746 1/20 0.69
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.62
PKM P14618 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.55
NAMPT P43490 1/20 0.54
MAPT P10636 1/20 0.54
ABCB1 P08183 2/20 0.53

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
SCHEMBL3080668 0.86 KMT2A (0.67) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL3086858 0.85 ALDH1A1 (0.77) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL13148217 0.83 ALDH1A1 (0.66) ALDH1A1KMT2APKMNPC1RAB9A
SCHEMBL28398534 0.82 ALDH1A1 (0.72) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL13148206 0.80 ALDH1A1 (0.62) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL13147979 0.79 ALDH1A1 (0.61) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL15134845 0.77 LMNA (0.73) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL14119792 0.77 ALDH1A1 (0.82) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL13148199 0.76 ALDH1A1 (0.58) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL4557193 0.75 ALDH1A1 (0.84) ALDH1A1LMNAKMT2AMEN1PKM

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 ALDH1A1 614/4885LMNA 1934/4885POLB 760/4885

“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.