SCHEMBL1259495

SCHEMBL1259495

Nc1cn2cc(Oc3ccc(N(Cc4ccccc4)C(=O)O)cc3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RNF4 P78317 1/20 0.46
▸ NR3C1 P04150 4/20 0.41
▸ SERPINE1 P05121 1/20 0.38
▸ PTGES O14684 2/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PAX8 Q06710 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
SCHEMBL1260140 0.86 MET (0.38) RNF4SERPINE1NPC1RAB9A
SCHEMBL1258365 0.80 KDR (0.49) RNF4ALDH1A1HTT
SCHEMBL1260519 0.76 RNF4 (0.51) RNF4NR3C1SERPINE1PTGESALOX5
SCHEMBL4443147 0.69 NPC1 (0.54) SMN1; SMN2GAATSHRNPC1ALDH1A1
SCHEMBL1260162 0.68 ALDH1A1 (0.48) RNF4NR3C1PTGESSMN1; SMN2GAA
SCHEMBL1260165 0.68 ALDH1A1 (0.48) RNF4NR3C1PTGESSMN1; SMN2GAA
SCHEMBL13639124 0.67 PIK3CG (0.40) SMN1; SMN2GAANPC1ALDH1A1RAB9A
SCHEMBL1927016 0.67 ALDH1A1 (0.69) SMN1; SMN2GAATSHRNPC1ALDH1A1
SCHEMBL23518793 0.67 RNF4 (0.85) RNF4NR3C1PTGESALOX5SMN1; SMN2
SCHEMBL6727472 0.66 RNF4 (0.53) RNF4NR3C1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RNF4 2307/4885NR3C1 1173/4885SERPINE1 4139/4885

“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.

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