SCHEMBL754735

SCHEMBL754735

COc1c(-c2nnc(Cc3ccc(F)cc3)o2)n(C)c2ccccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 3/20 0.42
PTK2 Q05397 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 2/20 0.41
PABPC1 P11940 1/20 0.41
APLNR P35414 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ATM Q13315 1/20 0.39
HKDC1 Q2TB90 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
KDM1A O60341 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL754675 0.86 CYP2C19 (0.47) SMN1; SMN2HPGDRAB9ATP53L3MBTL1
SCHEMBL754600 0.74 RAB9A (0.49) SMN1; SMN2HPGDPOLBRAB9APTK2
SCHEMBL753818 0.72 HPGD (0.47) SMN1; SMN2HPGDPOLBRAB9ATP53
SCHEMBL4270785 0.69 POLB (0.42) SMN1; SMN2HPGDPOLBRAB9ATP53
SCHEMBL16925413 0.69 KCNA3 (0.44) SMN1; SMN2HPGDPOLBRAB9ATP53
SCHEMBL752080 0.68 ABCG2 (0.43) SMN1; SMN2HPGDPOLBRAB9ATP53
SCHEMBL13255439 0.68 HPGD (0.44) SMN1; SMN2HPGDPOLBRAB9ATP53
SCHEMBL12265972 0.67 RAB9A (0.43) SMN1; SMN2HPGDPOLBRAB9ATP53
SCHEMBL753149 0.67 MEN1 (0.44) SMN1; SMN2HPGDRAB9AMEN1KMT2A
SCHEMBL753035 0.66 NMUR2 (0.50) SMN1; SMN2HPGDRAB9ATP53L3MBTL1

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 12 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

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 SMN1; SMN2 3746/4885HPGD 2594/4885POLB 107/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885HPGD 2594/4885POLB 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.