SCHEMBL751194

SCHEMBL751194

CC(C)N1CC(c2nnc(Cc3ccc(F)cc3)o2)=C(O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.42
TP53 P04637 4/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
APLNR P35414 2/20 0.39
HDAC8 Q9BY41 1/20 0.36
LMNA P02545 1/20 0.35
RIPK1 Q13546 1/20 0.35
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL12206702 0.87 NPSR1 (0.46) NPSR1NPC1RAB9ATP53HPGD
SCHEMBL749812 0.76 NPSR1 (0.33) NPSR1HPGDSMN1; SMN2MAPTLMNA
SCHEMBL751851 0.76 CYP11B1 (0.32) NPSR1HPGDSMN1; SMN2MAPTLMNA
SCHEMBL752070 0.75 SMN1; SMN2 (0.43) NPSR1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL754375 0.75 FYN (0.33) NPSR1SMN1; SMN2
SCHEMBL2779143 0.74 NPSR1 (0.39) NPSR1NPC1RAB9ATP53HPGD
SCHEMBL754752 0.72 USP1 (0.36) SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL752754 0.71 NPSR1 (0.35) NPSR1TP53MAPTTHRBRIPK1
SCHEMBL752004 0.70 ALDH1A1 (0.40) NPSR1HPGDMAPTPOLBTSHR
SCHEMBL754533 0.70 SMN1; SMN2 (0.34) NPSR1NPC1RAB9AHPGDSMN1; SMN2

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 NPSR1 4178/4885NPC1 1838/4885RAB9A 2373/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885NPC1 2338/4885RAB9A 1242/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885NPC1 2338/4885RAB9A 1242/4885

“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.