SCHEMBL6814968

SCHEMBL6814968

Cc1nc(=O)c(OCc2ccccc2)c(-c2ccc(Oc3ccc(F)cc3)cn2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
POLB P06746 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 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
SCHEMBL756645 0.87 SMN1; SMN2 (0.41) SMN1; SMN2CYP4F2CYP4A11POLBMMP1
SCHEMBL755427 0.79 SCN9A (0.34) CYP4F2CYP4A11ALDH1A1L3MBTL1HPGD
SCHEMBL6810304 0.73 SMN1; SMN2 (0.41) SMN1; SMN2POLBTSHRNPC1RAB9A
SCHEMBL755074 0.66 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGDLMNAMAPK14
SCHEMBL23263868 0.64 L3MBTL1 (0.46) SMN1; SMN2ALDH1A1NPC1L3MBTL1MAPK1
SCHEMBL23263939 0.64 L3MBTL1 (0.48) SMN1; SMN2ALDH1A1CYP1A2NPC1L3MBTL1
SCHEMBL5486395 0.63 CTSV (0.61) SMN1; SMN2ALDH1A1CYP1A2CYP2C9NPC1
SCHEMBL27797428 0.63 CYP11B1 (0.39) ALDH1A1NPC1RAB9AL3MBTL1MAPK1
SCHEMBL11852684 0.63 MAOB (0.62) ALDH1A1LMNAMEN1KMT2ALTA4H
SCHEMBL4337813 0.62 MEN1 (0.68) SMN1; SMN2ALDH1A1CYP1A2RAB9AL3MBTL1

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 5 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-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-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 SMN1; SMN2 3953/4885CYP4F2 2346/4885CYP4A11 787/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885CYP4F2 2332/4885CYP4A11 698/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885CYP4F2 2332/4885CYP4A11 698/4885

“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.