SCHEMBL458853

SCHEMBL458853

O=C(Nc1ccc(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)cc1)c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.43
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK14 Q16539 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGDS O60760 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
POLB P06746 2/20 0.38
TNIK Q9UKE5 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL459718 0.83 NAMPT (0.42) NAMPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17387429 0.81 KMT2A (0.48) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL458109 0.80 GRM4 (0.50) NAMPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL460219 0.79 SMN1; SMN2 (0.51) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL459806 0.79 GLA (0.49) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL459295 0.79 MAPT (0.49) NAMPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15052561 0.77 MAPT (0.43) NAMPTKMT2ANPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL460342 0.76 KMT2A (0.43) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17387431 0.76 KMT2A (0.41) KMT2ANPC1RAB9ASMN1; SMN2POLB
SCHEMBL458241 0.75 NAMPT (0.40) NAMPTKMT2ANPC1RAB9ASMN1; 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-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 NAMPT 386/4885HPGD 11/4885KMT2A 3659/4885

“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.