SCHEMBL460070

SCHEMBL460070

O=C(Nc1nccs1)c1ccc(-c2cnc(NC(=O)N3CCC(=Cc4ccccn4)CC3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.46
SCD O00767 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
GAA P10253 2/20 0.42
CNR2 P34972 1/20 0.42
POLB P06746 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
LMNA P02545 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL458505 0.87 CNR2 (0.49) KDRSCDCNR2NPY5R
SCHEMBL459871 0.87 NPY5R (0.44) KDRSCDCNR2KITFLT3
SCHEMBL460254 0.86 CNR2 (0.44) KDRSCDCNR2NPY5R
SCHEMBL460463 0.85 OGA (0.45) KDRSCDCNR2ALDH1A1NPY5R
SCHEMBL460156 0.85 ADORA2A (0.43) SCDNPC1RAB9APOLBKCNK3
SCHEMBL460222 0.84 CNR2 (0.47) KDRSCDCNR2NPY5R
SCHEMBL460516 0.81 CNR2 (0.45) KDRRAB9ACNR2ALDH1A1LMNA
SCHEMBL459963 0.80 CNR2 (0.49) KDRCNR2FLT3NPY5R
SCHEMBL460271 0.79 NAMPT (0.44) KDRNPC1RAB9ACNR2SMN1; SMN2
SCHEMBL460023 0.79 CSNK2A2 (0.46) KDRSCDNPC1RAB9ACNR2

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-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US claimed
EP-2615084-B1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 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-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR KDR 4481/4885SCD 353/4885NPC1 2377/4885

“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.