Sugi Predict

Sugi Predict / Compounds / SCHEMBL1259809

SCHEMBL1259809

SCHEMBL1259809

Cc1ccc[n+]([O-])c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPK14 Q16539 4/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 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
SCHEMBL2407907 0.82 MAPK14 (0.39) TSHRKMT2AALDH1A1KDM4EMAPK14
SCHEMBL1260047 0.81 MAPK14 (0.40) KDM4EMAPK14HSD17B10MGAMGAA
SCHEMBL2512414 0.80 ACHE (0.38) TSHRALDH1A1MAPK14PDK1PDK2
SCHEMBL18101838 0.78 MAPK14 (0.37) TSHRKMT2AMAPK14NPC1TP53
SCHEMBL13756598 0.78 ALDH1A1 (0.39) TSHRKMT2AALDH1A1KDM4EMAPK14
SCHEMBL25245948 0.75 NPC1 (0.37) TSHRKMT2AALDH1A1KDM4ENPC1
SCHEMBL3792195 0.75 ALDH1A1 (0.47) KMT2AALDH1A1KDM4ENPC1NFKB1
SCHEMBL27732830 0.74 PTGS2 (0.43) TSHRPTGS1PTGS2ACHE
SCHEMBL22686334 0.74 NR3C1 (0.36) KMT2AALDH1A1KDM4EMAPK14NPSR1
SCHEMBL10066070 0.73 ALDH1A1 (0.42) TSHRKMT2AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 — — US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 — — US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 — — US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 — — US disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 — — WO disclosed
WO-2009136663-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 — — WO 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 (1 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 TSHR 3301/4885KMT2A 650/4885ALDH1A1 2255/4885

“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.