SCHEMBL1260519

SCHEMBL1260519

Nc1ccc(Oc2ccc(N(Cc3ccccc3)C(=O)O)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RNF4 P78317 1/20 0.51
▸ NR3C1 P04150 3/20 0.46
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CDK8 P49336 5/20 0.42
▸ SERPINE1 P05121 1/20 0.42
▸ PDK1 Q15118 1/20 0.41
▸ PTGES O14684 3/20 0.41
▸ ALOX5 P09917 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1259043 0.84 CDK8 (0.41) CDK8PDK1
SCHEMBL1258201 0.83 CDK8 (0.47) CDK8
SCHEMBL1260165 0.81 ALDH1A1 (0.48) RNF4NR3C1GAATSHRPTGES
SCHEMBL1260162 0.81 ALDH1A1 (0.48) RNF4NR3C1GAATSHRPTGES
SCHEMBL1478338 0.77 CDK8 (0.46) CDK8
SCHEMBL1259495 0.76 RNF4 (0.46) RNF4NR3C1GAATSHRSERPINE1
SCHEMBL1826466 0.75 MAOA (0.56) TSHRCDK8
SCHEMBL4443147 0.74 NPC1 (0.54) GAATSHRPDK1SMN1; SMN2
SCHEMBL1259881 0.73 KDM4E (0.50) RNF4NR3C1PTGESALOX5SMN1; SMN2
SCHEMBL1927016 0.72 ALDH1A1 (0.69) GAATSHRPDK1SMN1; SMN2

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 1 patent. 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

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 1173/4885GAA 3285/4885

“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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