SCHEMBL10201147

SCHEMBL10201147

OCc1cnc(I)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
RECQL P46063 1/20 0.32
TTR P02766 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX5 P09917 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
BACE1 P56817 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
SCHEMBL13574493 0.82 RECQL (0.34) ACHERECQL
SCHEMBL335564 0.77 RECQL (0.39) ACHERECQL
SCHEMBL30513481 0.74 PDXK (0.42) ACHECHRNB2CHRNA4RECQLTTR
SCHEMBL20876899 0.74 PDXK (0.42) ACHECHRNB2CHRNA4RECQLTTR
SCHEMBL31717889 0.74 KDM4E (0.42) ACHERECQLKDM4EALDH1A1GAA
SCHEMBL1705316 0.74 KDM4E (0.42) ACHERECQLKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL11784680 0.72 KDM4E (0.41) ACHERECQLKDM4EALDH1A1GAA
SCHEMBL10112979 0.72 NPC1 (0.47)
SCHEMBL6109661 0.72
SCHEMBL25189167 0.69 ALOX15 (0.33) ACHERECQLTTRKDM4EALDH1A1

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
WO-2017062688-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-04-13 WO disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 ACHE 913/4885CHRNB2 4437/4885CHRNA4 4450/4885

“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.