SCHEMBL754504

SCHEMBL754504

CC(=O)c1nc(Cc2ccc(F)cc2)co1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
MAOB P27338 1/20 0.37
KMT2A Q03164 2/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL27588452 0.85 NPSR1 (0.40) NPSR1KMT2ACNR1CNR2GAA
SCHEMBL755306 0.85 NPSR1 (0.36) NPSR1KMT2ACNR1CNR2GAA
SCHEMBL16016413 0.76 HTT (0.37) NPSR1CNR1CNR2GAATP53
SCHEMBL18610405 0.75 BRD4 (0.33) NPSR1CNR1CNR2TP53MAPT
SCHEMBL12206805 0.75 LIPG (0.37) NPSR1
SCHEMBL754405 0.75 MAPT (0.40) NPSR1KMT2AGAAMAPTLMNA
SCHEMBL754406 0.75 MAPT (0.40) NPSR1KMT2AGAAMAPTLMNA
SCHEMBL752870 0.75 LIPG (0.35) NPSR1CNR1CNR2TP53MAPT
SCHEMBL25144893 0.73 FPR3 (0.34)
SCHEMBL16018759 0.73 HTR2C (0.36) NPSR1CNR1CNR2TP53

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 13 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
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-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-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 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 NPSR1 4131/4885MAOB 900/4885KMT2A 667/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885MAOB 900/4885KMT2A 667/4885

“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.