SCHEMBL754243

SCHEMBL754243

COCOc1ccc(OCc2ccc(F)cc2)cc1C=CC(=O)c1nccn1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.48
BACE1 P56817 1/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PSEN1 P49768 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL756372 0.86 MAOB (0.47) PPARGBACE1MEN1KMT2AKDM4E
SCHEMBL754244 0.83 MAPT (0.44) PPARGBACE1MEN1KMT2AKDM4E
SCHEMBL754365 0.81 PPARG (0.49) PPARGBACE1MEN1KMT2APTGES
SCHEMBL756373 0.72 MAOB (0.49) ALDH1A1MAOBMAOA
SCHEMBL754366 0.72 MAPT (0.46) PPARGBACE1MEN1KMT2AKDM4E
SCHEMBL753306 0.70 MAOB (0.64) ALDH1A1MAOBMAOA
SCHEMBL28404528 0.69 TNFRSF1A (0.53) ALDH1A1LMNAMAOBMAOA
SCHEMBL28404409 0.65 CYP2D6 (0.58) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3220797 0.65 BACE1 (0.88) BACE1KDM4EALDH1A1
SCHEMBL28351459 0.65 CYP2D6 (0.58) MEN1KMT2AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PPARG 3165/4885BACE1 1681/4885MEN1 4775/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PPARG 3165/4885BACE1 1681/4885MEN1 4775/4885

“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.