SCHEMBL3099619

SCHEMBL3099619

NC(=O)c1ccc(NC(=O)c2ccccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.63
RAB9A P51151 8/20 0.63
MAPT P10636 3/20 0.63
KDM4E B2RXH2 3/20 0.63
SMN1; SMN2 Q16637 7/20 0.61
GRM4 Q14833 4/20 0.61
PKM P14618 3/20 0.61
MITF O75030 1/20 0.58
KDR P35968 3/20 0.57
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
AURKB Q96GD4 2/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
KLF5 Q13887 1/20 0.56
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL7988912 0.87 NPC1 (0.65) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL30693673 0.85 NPC1 (0.63) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL4323035 0.85 NPC1 (0.63) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL674215 0.84 HDAC2 (0.62) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL3099628 0.83 NPC1 (0.65) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL3087888 0.83 KCNK3 (0.74) NPC1RAB9ASMN1; SMN2GRM4KDR
SCHEMBL231897 0.83 KDR (0.78) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL28947571 0.81 NPC1 (0.67) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL4311315 0.81 SMN1; SMN2 (0.71) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL29184186 0.81 KDR (0.76) NPC1RAB9AMAPTKDM4ESMN1; 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 7 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
CN-108135871-A Amine naphthoquinone compounds and pharmaceutical compositions for blocking ubiquitination-proteasome system of diseases 台北医学大学 2018-06-08 CN disclosed
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 NPC1 2733/4885RAB9A 2884/4885MAPT 4774/4885

“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.