SCHEMBL752080

SCHEMBL752080

O=c1c(OCc2ccccc2)c(-c2nnc(Cc3ccc(F)cc3)o2)oc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
KCNA3 P22001 1/20 0.41
MAPK14 Q16539 2/20 0.41
NPC1 O15118 3/20 0.41
TSHR P16473 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ABCB1 P08183 2/20 0.40
ABCC1 P33527 2/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL16925413 0.86 KCNA3 (0.44) ABCG2POLBRAB9ASMN1; SMN2HPGD
SCHEMBL30558216 0.81 ABCG2 (0.59) ABCG2POLBKDM4EGAAKCNA3
SCHEMBL29080561 0.81 ABCG2 (0.59) ABCG2POLBKDM4EGAAKCNA3
SCHEMBL753035 0.81 NMUR2 (0.50) RAB9ASMN1; SMN2HPGDKDM4ETP53
SCHEMBL29080524 0.76 ALDH1A1 (0.63) ABCG2RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL30558230 0.76 ALDH1A1 (0.63) ABCG2RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL972002 0.75 KDM4E (0.68) ABCG2POLBKDM4ETP53GAA
SCHEMBL29080548 0.74 ABCG2 (0.66) ABCG2RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL30558215 0.74 ABCG2 (0.66) ABCG2RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL2545473 0.73 SMN1; SMN2 (0.42) POLBRAB9ASMN1; SMN2HPGDTP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ABCG2 1609/4885POLB 107/4885RAB9A 1242/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI ABCG2 1609/4885POLB 107/4885RAB9A 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.