SCHEMBL755371

SCHEMBL755371

Cn1[nH]c(C(=O)c2ccc(Cc3ccc(F)cc3)o2)c(OCc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.39
PTGER1 P34995 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
LMNA P02545 2/20 0.35
MAOA P21397 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL765804 0.85 ALDH1A1 (0.38) POLBALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL765090 0.80 ALDH1A1 (0.40) L3MBTL1POLBALDH1A1CYP1A2CYP2D6
SCHEMBL755003 0.77 SMN1; SMN2 (0.38) SMN1; SMN2MAPTL3MBTL1POLBTDP1
SCHEMBL16921603 0.75 SMN1; SMN2 (0.43) SMN1; SMN2MAPTL3MBTL1POLBTDP1
SCHEMBL752918 0.74 MAPT (0.43) SMN1; SMN2MAPTL3MBTL1POLBTDP1
SCHEMBL753257 0.74 SMN1; SMN2 (0.39) SMN1; SMN2MAPTL3MBTL1POLBTDP1
SCHEMBL751907 0.73 PTGER1 (0.40) SMN1; SMN2MAPTL3MBTL1POLBTDP1
SCHEMBL754426 0.73 KMT2A (0.43) MAPTL3MBTL1POLBTDP1ALDH1A1
SCHEMBL753517 0.73 KMT2A (0.42) SMN1; SMN2POLBALDH1A1PTGER1KMT2A
SCHEMBL755271 0.72 PTGER1 (0.38) SMN1; SMN2MAPTL3MBTL1POLBTDP1

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 13 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-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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US 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-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
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT SMN1; SMN2 3953/4885MAPT 4635/4885L3MBTL1 623/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885MAPT 4426/4885L3MBTL1 1368/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885MAPT 4426/4885L3MBTL1 1368/4885

“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.