SCHEMBL753818

SCHEMBL753818

COc1c(-c2nnc(Cc3ccc(F)cc3)o2)ccn(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
APLNR P35414 2/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
PLAT P00750 3/20 0.39
MAPT P10636 2/20 0.37
THRB P10828 2/20 0.37
EGFR P00533 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL765086 0.85 NPC1 (0.47) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL753812 0.84 NPC1 (0.46) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL13255465 0.76 HPGD (0.50) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL4270785 0.74 POLB (0.42) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL13255439 0.74 HPGD (0.44) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL13255481 0.72 SMN1; SMN2 (0.47) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL12020187 0.72 HPGD (0.47) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL13255453 0.72 HPGD (0.47) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL13255430 0.72 HPGD (0.46) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL13255426 0.72 HPGD (0.43) HPGDSMN1; SMN2POLBNPC1RAB9A

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 16 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-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
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
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
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 HPGD 2278/4885SMN1; SMN2 3953/4885POLB 89/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HPGD 2594/4885SMN1; SMN2 3746/4885POLB 107/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI HPGD 2594/4885SMN1; SMN2 3746/4885POLB 107/4885

“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.