SCHEMBL5115091

SCHEMBL5115091

OCc1ccnc(Cc2ccccc2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
TSHR P16473 1/20 0.48
FYN P06241 1/20 0.42
PRKCI P41743 1/20 0.42
HTR2B P41595 1/20 0.41
KDM5B Q9UGL1 3/20 0.41
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM2B Q8NHM5 1/20 0.41
CALM1 P0DP23 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
IDH1 O75874 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4A O75164 2/20 0.38

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
SCHEMBL5117845 0.85 CALM1 (0.46) RECQLTSHRKDM5BKDM5AKDM4C
SCHEMBL11679979 0.81 RECQL (0.56) RECQLHTR2BKDM5BKDM4CKDM4A
SCHEMBL13541414 0.79 RECQL (0.61) RECQLTSHRPRKCIALDH1A1
SCHEMBL21443572 0.78 SREBF2 (0.41) TSHRHTR2BCALM1L3MBTL1ALDH1A1
SCHEMBL18924479 0.78 ESR1 (0.43) TSHRHTR2BCALM1L3MBTL1ALDH1A1
SCHEMBL10383867 0.77 ALDH1A1 (0.47) HTR2BKDM5BKDM5AKDM4CKDM2B
SCHEMBL8672787 0.77 HTR2B (0.41) TSHRHTR2BKDM5BKDM5AKDM4C
SCHEMBL30368122 0.77 ALDH1A1 (0.47) HTR2BKDM5BKDM5AKDM4CKDM2B
SCHEMBL20197185 0.77 CCNC (0.43) FYNHTR2BKDM5BKDM5AKDM4C
SCHEMBL13562418 0.77 NOS2 (0.53) RECQLHTR2BCALM1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 RECQL 4638/4885TSHR 2066/4885FYN 3010/4885

“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.