SCHEMBL10285195

SCHEMBL10285195

O=CC1CN(CCSc2cccs2)CCC1CCCO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.41
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PTGER1 P34995 1/20 0.31
PTGFR P43088 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL2797195 0.81 KCNH2 (0.51) KCNH2
SCHEMBL10285620 0.77 KCNH2 (0.45) KCNH2
SCHEMBL10285328 0.72 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL28782135 0.69 POLB (0.47) KCNH2KMT2AALDH1A1LMNAMAPT
SCHEMBL6797927 0.69 KDM4E (0.42) KCNH2MAPTKDM4E
SCHEMBL2796473 0.69 KCNH2 (0.48) KCNH2
SCHEMBL3247754 0.68 KCNH2 (0.52) KCNH2
SCHEMBL6369341 0.66 FBP1 (0.46) KMT2AALDH1A1LMNAMAPTTAAR1
SCHEMBL9142984 0.65 MEN1 (0.45) KCNH2KMT2AMAPTTSHRKDM4E
SCHEMBL6285444 0.63 CA2 (0.44) ALDH1A1MAPTPTGER1PTGFRPTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 KCNH2 578/4885KMT2A 1173/4885ALDH1A1 2925/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885KMT2A 2354/4885ALDH1A1 3142/4885

“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.