SCHEMBL755306

SCHEMBL755306

C=C(C)c1nc(Cc2ccc(F)cc2)co1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
TRPA1 O75762 2/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 1/20 0.31
FYN P06241 2/20 0.31

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
SCHEMBL754504 0.85 NPSR1 (0.42) NPSR1CNR1CNR2TP53MAPT
SCHEMBL21332664 0.84 BRD4 (0.38)
SCHEMBL27588452 0.79 NPSR1 (0.40) NPSR1CNR1CNR2TP53MAPT
SCHEMBL16016413 0.76 HTT (0.37) NPSR1TRPA1CNR1CNR2TAAR1
SCHEMBL18633495 0.73 LMNA (0.37) NPSR1TAAR1TP53HTR2C
SCHEMBL16018759 0.73 HTR2C (0.36) NPSR1TRPA1CNR1CNR2TAAR1
SCHEMBL754405 0.70 MAPT (0.40) NPSR1MAPTGAAKMT2A
SCHEMBL754406 0.70 MAPT (0.40) NPSR1MAPTGAAKMT2A
SCHEMBL18610405 0.68 BRD4 (0.33) NPSR1CNR1CNR2TP53MAPT
SCHEMBL23023619 0.65 CES1 (0.43)

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 11 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

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 4131/4885TRPA1 4710/4885CNR1 2564/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885TRPA1 4710/4885CNR1 2564/4885

“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.