SCHEMBL765509

SCHEMBL765509

O=C(O)c1sccc1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPRG P23470 3/20 0.40
CTBP2 P56545 1/20 0.40
PTPRC P08575 4/20 0.40
CPA1 P15085 1/20 0.39
MAPK8 P45983 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
PTPN1 P18031 1/20 0.38
NR4A2 P43354 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL755262 0.85 KMT2A (0.46) MEN1ALDH1A1KMT2AMAPK8PTGS1
SCHEMBL15877228 0.84 PTPRC (0.54) PTPRGPTPRCMAPK8PTPN1
SCHEMBL26784516 0.83 PTPRG (0.57) MEN1ALDH1A1KMT2APTPRGCTBP2
SCHEMBL27588311 0.83 MEN1 (0.41) MEN1ALDH1A1KMT2AMAPK8MAPT
SCHEMBL26784498 0.82 DHODH (0.49) MEN1ALDH1A1KMT2APTPRGPTPRC
SCHEMBL4673033 0.81 ALDH1A1 (0.38) MEN1ALDH1A1KMT2ACTBP2CPA1
SCHEMBL4673029 0.81 ALDH1A1 (0.38) MEN1ALDH1A1KMT2ACTBP2CPA1
SCHEMBL26105292 0.80 LMNA (0.38) ALDH1A1PTPRGPTPRCRAB9AL3MBTL1
SCHEMBL16921552 0.78 ALDH1A1 (0.40) MEN1ALDH1A1KMT2AMAPT
SCHEMBL753004 0.76 ALDH1A1 (0.39) MEN1ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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
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
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

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 MEN1 4775/4885ALDH1A1 424/4885KMT2A 667/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MEN1 4775/4885ALDH1A1 424/4885KMT2A 667/4885

“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.