SCHEMBL3159306

SCHEMBL3159306

OCCc1ccccc1NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
TDP1 Q9NUW8 1/20 0.48
ABCB1 P08183 4/20 0.48
ABCG2 Q9UNQ0 2/20 0.48
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
IDO1 P14902 2/20 0.46
BACE1 P56817 1/20 0.45
ALDH1A1 P00352 2/20 0.44
THRB P10828 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8503692 0.89 HSD17B10 (0.49) HSD17B10TDP1ABCB1ABCG2HPGD
SCHEMBL4661230 0.86 MEN1 (0.44) HSD17B10ABCB1ABCG2HPGDKDM4E
SCHEMBL11307060 0.86 HSD17B10 (0.46) HSD17B10TDP1ABCB1ABCG2HPGD
SCHEMBL1520714 0.85 HSD17B10 (0.55) HSD17B10HPGDKDM4ETSHRIDO1
SCHEMBL4661438 0.83 HTR6 (0.45) HSD17B10HPGDKDM4EALDH1A1THRB
SCHEMBL28864992 0.80 ABCB1 (0.50) HSD17B10ABCB1ABCG2HPGDKDM4E
SCHEMBL5790165 0.79 HSD17B10 (0.57) HSD17B10ABCB1ABCG2HPGDKDM4E
SCHEMBL3492989 0.79 KDM4E (0.47) HSD17B10TDP1HPGDKDM4ETSHR
SCHEMBL19495269 0.77 ABCB1 (0.51) HSD17B10ABCB1ABCG2HPGDKDM4E
SCHEMBL7441992 0.77 HSD17B10 (0.51) HSD17B10TDP1ABCB1ABCG2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1216963-A None JP disclosed
EP-3193881-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-02-09 EP disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
EP-2686325-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2014-01-22 EP disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
WO-2012125613-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 WO disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
JP-H01216963-A PRODUCTION OF OPTICALLY ACTIVE AMINOALCOHOL FUJI YAKUHIN KOGYO KK 1989-08-30 JP 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 (2 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 HSD17B10 3346/4885TDP1 4420/4885ABCB1 392/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 HSD17B10 3346/4885TDP1 4420/4885ABCB1 392/4885

“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.