SCHEMBL13865700

SCHEMBL13865700

COc1ccc(Cl)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.48
PDE10A Q9Y233 13/20 0.42
PDE2A O00408 10/20 0.42
PDE7A Q13946 2/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PDE6D O43924 3/20 0.41
PDE6A P16499 3/20 0.41
PDE6G P18545 3/20 0.41
PDE6B P35913 3/20 0.41
PDE6C P51160 3/20 0.41
PDE6H Q13956 3/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL30142352 1.00 NNMT (0.48) NNMTPDE10APDE2APDE7AHTT
SCHEMBL29581181 0.79 HPGD (0.40) NNMTPDE10APDE2APDE7AHTT
SCHEMBL911440 0.79 HPGD (0.40) NNMTPDE10APDE2APDE7AHTT
SCHEMBL29586509 0.77 POLB (0.50) NNMTPDE10APDE2APDE7AHTT
SCHEMBL27582225 0.77 POLB (0.50) NNMTPDE10APDE2APDE7AHTT
SCHEMBL10153938 0.77 MAPT (0.37) HTTKMT2ASMN1; SMN2RAB9AS1PR4
SCHEMBL172558 0.76 NNMT (0.52) NNMTPDE10APDE2APDE7AHTT
SCHEMBL14975844 0.76 CYP1A2 (0.39) NNMTPDE10APDE2APDE7AHTT
SCHEMBL22564747 0.76 HPGD (0.38) NNMTPDE10APDE2APDE7AHTT
SCHEMBL30843221 0.76 CYP1A2 (0.39) NNMTPDE10APDE2APDE7AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021156787-A1 HETEROCYCLIC COMPOUNDS AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-08-12 WO disclosed
WO-2020212897-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2020-10-22 WO disclosed
US-10513514-B2 Piperidine compounds as PCSK9 inhibitors SHENZHEN SALUBRIS PHARM CO LTD. (CN) 2019-12-24 US disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 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 (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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ NNMT 1853/4885PDE10A 124/4885PDE2A 263/4885
US-10513514-B2 Piperidine compounds as PCSK9 inhibitors PCSK9, TGFB1, PCSK7 NNMT 2897/4885PDE10A 2033/4885PDE2A 978/4885

“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.