SCHEMBL2489691

SCHEMBL2489691

COC1=C(C(=O)c2ncc(Cc3ccc(F)cc3)s2)CN(C(C)C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCR6 P51684 2/20 0.40
GAA P10253 1/20 0.40
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ABL1 P00519 2/20 0.38
RIPK1 Q13546 2/20 0.35
ATM Q13315 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
SCHEMBL754618 0.87 LIPG (0.41) NPSR1SMN1; SMN2CCR6GAAOPRK1
SCHEMBL752989 0.87 SMN1; SMN2 (0.42) NPSR1SMN1; SMN2CCR6GAAOPRK1
SCHEMBL16921567 0.84 HSD17B2 (0.38) NPSR1SMN1; SMN2CCR6GAAOPRK1
SCHEMBL754297 0.80 ALDH1A1 (0.40) NPSR1CCR6TDP1MEN1KMT2A
SCHEMBL752070 0.77 SMN1; SMN2 (0.43) NPSR1SMN1; SMN2CCR6GAAOPRK1
SCHEMBL751203 0.76 LIPG (0.50) NPSR1SMN1; SMN2CCR6GAAOPRK1
SCHEMBL18633490 0.76 SCD (0.37) LMNARIPK1MAPTSCD
SCHEMBL755075 0.72 ALDH1A1 (0.33) NPSR1ALDH1A1POLB
SCHEMBL3428686 0.71 HSD17B2 (0.38) NPSR1SMN1; SMN2CCR6GAAOPRK1
SCHEMBL752955 0.71 HTT (0.41) SMN1; SMN2TDP1KMT2AKDM4EALDH1A1

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
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US 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 NPSR1 4178/4885SMN1; SMN2 3953/4885CCR6 556/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885SMN1; SMN2 3746/4885CCR6 456/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885SMN1; SMN2 3746/4885CCR6 456/4885

“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.