SCHEMBL753812

SCHEMBL753812

Cn1ccc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.45
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
APLNR P35414 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 3/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 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 0.87 NPC1 (0.47) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL753818 0.84 HPGD (0.47) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL12266074 0.81 NPC1 (0.46) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL14046413 0.74 NPC1 (0.44) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL13218214 0.74 TP53 (0.42) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL4280987 0.73 NPC1 (0.41) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL825685 0.73 NR1I3 (0.46) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL13255448 0.73 NPC1 (0.40) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL823357 0.72 GABRA1 (0.41) NPC1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL13255477 0.71 NPC1 (0.48) NPC1RAB9AHPGDSMN1; SMN2TP53

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 17 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
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 NPC1 1838/4885RAB9A 2373/4885HPGD 2278/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPC1 2338/4885RAB9A 1242/4885HPGD 2594/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPC1 2338/4885RAB9A 1242/4885HPGD 2594/4885

“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.