SCHEMBL3086858

SCHEMBL3086858

COC(=O)c1ccc(NC(=S)N2CCN(C(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
LMNA P02545 4/20 0.72
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
GAA P10253 4/20 0.63
KDM4E B2RXH2 1/20 0.63
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
HPGD P15428 2/20 0.61
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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 0.89 LMNA (0.70) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL3080673 0.85 ALDH1A1 (0.74) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL8658563 0.80 HPGD (0.68) ALDH1A1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL13148217 0.80 ALDH1A1 (0.66) ALDH1A1KMT2A
SCHEMBL28398534 0.79 ALDH1A1 (0.72) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL17559372 0.77 HPGD (0.61) ALDH1A1LMNAKMT2AHPGDPOLB
SCHEMBL13148206 0.76 ALDH1A1 (0.62) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL13147979 0.76 ALDH1A1 (0.61) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL3080668 0.75 KMT2A (0.67) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL11891454 0.75 PLA2G1B (0.52) MEN1KMT2AGAA

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 1934/4885MEN1 4230/4885

“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.