SCHEMBL3086960

SCHEMBL3086960

COC(=O)c1ccc(NC(=S)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.70
GAA P10253 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HPGD P15428 2/20 0.60
KMT2A Q03164 6/20 0.60
MEN1 O00255 4/20 0.60
MAPT P10636 4/20 0.60
EPHX2 P34913 1/20 0.60
MAPK1 P28482 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
HTT P42858 1/20 0.58
GLA P06280 1/20 0.57
ATM Q13315 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
SCHEMBL3086858 0.89 ALDH1A1 (0.77) LMNAGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3080668 0.87 KMT2A (0.67) GAAKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL8658563 0.79 HPGD (0.68) LMNAALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL7969951 0.77 CYP2D6 (0.62) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL3089960 0.76 HPGDS (0.61) LMNAKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL3944127 0.75 EPHX2 (1.00) KMT2AMEN1MAPTEPHX2MAPK1
SCHEMBL4111942 0.75 MAPT (1.00) LMNAKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL22305103 0.74 CA12 (0.71) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL6985975 0.74 CA12 (0.71) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL3080673 0.74 ALDH1A1 (0.74) LMNAGAAKDM4EALDH1A1SMN1; SMN2

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 LMNA 1934/4885GAA 1250/4885KDM4E 3580/4885

“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.