SCHEMBL4812588

SCHEMBL4812588

Clc1cc(Cl)nc(NCC2CCCO2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.58
KDM4E B2RXH2 5/20 0.51
HPGD P15428 5/20 0.51
MAPK1 P28482 4/20 0.51
TSHR P16473 3/20 0.51
HSD17B10 Q99714 3/20 0.51
TP53 P04637 2/20 0.51
ALOX15 P16050 1/20 0.51
ALDH1A1 P00352 8/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 4/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL20511114 0.84 KCNH3 (0.57) KCNH3KDM4EHPGDMAPK1TSHR
SCHEMBL4821197 0.81 HCAR3 (0.45) KCNH3KDM4EHPGDMAPK1TSHR
SCHEMBL2571027 0.76 KCNH3 (0.58) KCNH3KDM4EHPGDMAPK1TSHR
SCHEMBL992885 0.75 CDC7 (0.63) MAPK1GSK3AGSK3B
SCHEMBL374080 0.75 HCAR3 (0.48) KDM4EHPGDMAPK1TSHRHSD17B10
SCHEMBL2390459 0.75 KDM4E (0.48) KCNH3KDM4EHPGDMAPK1TSHR
Water SCHEMBL4690707 0.74 KCNH3 (0.57) KCNH3KDM4EHPGDMAPK1TSHR
SCHEMBL29325857 0.74 ALDH1A1 (0.51) KCNH3KDM4EHPGDMAPK1TSHR
SCHEMBL22142958 0.73 ALDH1A1 (0.38) KCNH3HPGDTSHRALDH1A1SMN1; SMN2
SCHEMBL12523516 0.73 ALDH1A1 (0.55) KCNH3KDM4EHPGDMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 US disclosed
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 US disclosed
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-03-16 US 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-20060058308-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 KCNH3 374/4885KDM4E 3505/4885HPGD 487/4885

“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.