SCHEMBL13216166

SCHEMBL13216166

CCOC(=O)c1nc(C)sc1-c1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.65
▸ HSD17B10 Q99714 4/20 0.65
▸ TP53 P04637 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ SIRT2 Q8IXJ6 3/20 0.54
▸ SIRT1 Q96EB6 2/20 0.54
▸ SIRT3 Q9NTG7 1/20 0.54
▸ HCRTR1 O43613 3/20 0.53
▸ HCRTR2 O43614 3/20 0.53
▸ PRKCI P41743 1/20 0.53
▸ PRKCZ Q05513 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ HPGD P15428 5/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ CYP19A1 P11511 1/20 0.52
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ JAK2 O60674 1/20 0.50

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
SCHEMBL13216170 0.84 ALDH1A1 (0.62) KDM4EHSD17B10TP53SMN1; SMN2HCRTR1
SCHEMBL17621930 0.76 SMN1; SMN2 (0.51) KDM4EHSD17B10TP53SMN1; SMN2HCRTR1
SCHEMBL7850695 0.76 PRKCZ (0.66) KDM4EHSD17B10TP53SMN1; SMN2SIRT2
SCHEMBL3317668 0.76 ALDH1A1 (0.53) KDM4EHSD17B10SMN1; SMN2HCRTR1HCRTR2
SCHEMBL16433946 0.76 SMN1; SMN2 (0.56) KDM4EHSD17B10TP53SMN1; SMN2ALDH1A1
SCHEMBL22256926 0.75 TARBP2 (0.57) KDM4EHSD17B10TP53SMN1; SMN2HCRTR1
SCHEMBL2995600 0.75 MAPT (0.67) KDM4EHSD17B10TP53SMN1; SMN2SIRT2
SCHEMBL13398492 0.75 ALDH1A1 (0.59) KDM4ESMN1; SMN2HCRTR1HCRTR2ALDH1A1
SCHEMBL21523865 0.75 NPC1 (0.67) KDM4EHSD17B10TP53SMN1; SMN2ALDH1A1
SCHEMBL6609848 0.74 RAB9A (0.71) KDM4EHSD17B10TP53SMN1; SMN2SIRT2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-24 — — US disclosed
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-24 — — US disclosed
US-9227935-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICAL N.V. (BE) 2016-01-05 — — US disclosed
US-9227935-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICAL N.V. (BE) 2016-01-05 — — US disclosed
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 — — US disclosed
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 — — US disclosed
US-8946228-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-02-03 — — US disclosed
US-8946228-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-02-03 — — US disclosed
EP-2155198-B1 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-08-13 — — EP disclosed
US-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 — — US disclosed
US-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-19 — — US disclosed
WO-2008148849-A2 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-11 — — 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 (3 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-20100210618-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, NAT1 KDM4E 3597/4885HSD17B10 541/4885TP53 4329/4885
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, NAT1, SOAT1 KDM4E 3538/4885HSD17B10 562/4885TP53 4287/4885
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, SOAT1 KDM4E 3529/4885HSD17B10 507/4885TP53 4305/4885

“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.

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