SCHEMBL3076566

SCHEMBL3076566

NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.73
MITF O75030 1/20 0.71
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
NOS1 P29475 1/20 0.65
NOS2 P35228 1/20 0.65
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
POLB P06746 2/20 0.65
ATM Q13315 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MAPT P10636 1/20 0.63
SNCA P37840 1/20 0.63
ALDH1A1 P00352 1/20 0.60
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
BCAT2 O15382 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
SCHEMBL27583806 1.00 PTPN1 (0.73) PTPN1MITFNPC1RAB9ANOS1
SCHEMBL13210699 0.90 KMT2A (0.73) PTPN1NPC1RAB9AKMT2AMEN1
SCHEMBL10684470 0.90 PTPN1 (0.88) PTPN1MITFNPC1RAB9ANOS1
SCHEMBL27465968 0.86 PTPN1 (0.69) PTPN1MITFNPC1RAB9ANOS1
SCHEMBL7143004 0.85 PTPN1 (0.73) PTPN1MITFNPC1RAB9ANOS1
SCHEMBL4249220 0.85 PTPN1 (0.73) PTPN1MITFNPC1RAB9ANOS1
SCHEMBL16741759 0.85 MEN1 (0.81) PTPN1MITFNPC1RAB9ANOS1
SCHEMBL684117 0.85 MEN1 (0.81) PTPN1MITFNPC1RAB9ANOS1
SCHEMBL6125777 0.85 KMT2A (0.67) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL8770854 0.85 PTPN1 (0.79) PTPN1MITFNPC1RAB9ANOS1

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 4 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
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 PTPN1 3522/4885MITF 4038/4885NPC1 2733/4885

“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.