SCHEMBL3080668

SCHEMBL3080668

Cc1ccc(NC(=S)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
EPHX2 P34913 2/20 0.62
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
HSD11B1 P28845 1/20 0.55
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GLA P06280 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL3086960 0.87 LMNA (0.70) KMT2AMEN1EPHX2GAAKDM4E
SCHEMBL3080673 0.86 ALDH1A1 (0.74) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL6211538 0.83 CYP1A2 (0.78) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL3944127 0.77 EPHX2 (1.00) KMT2AMEN1EPHX2NPC1RAB9A
SCHEMBL4557193 0.76 ALDH1A1 (0.84) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL10726712 0.76 ALDH1A1 (0.84) KMT2AMEN1KDM4EALDH1A1PKM
SCHEMBL22305103 0.76 CA12 (0.71) KMT2AMEN1EPHX2KDM4EALDH1A1
SCHEMBL6985975 0.76 CA12 (0.71) KMT2AMEN1EPHX2KDM4EALDH1A1
SCHEMBL14817973 0.76 CYP2D6 (0.65) KMT2AEPHX2GAAALDH1A1HSD11B1
SCHEMBL22422539 0.76 CA12 (0.69) KDM4EALDH1A1

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 KMT2A 3378/4885MEN1 4230/4885EPHX2 381/4885

“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.