SCHEMBL13158443

SCHEMBL13158443

Cc1c(C(=O)NC2CC2)nnn1-c1ccc(C(=O)NC(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ GRM1 Q13255 1/20 0.47
▸ PTGS2 P35354 5/20 0.46
▸ TP53 P04637 2/20 0.46
▸ SMURF1 Q9HCE7 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ RIPK1 Q13546 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 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
SCHEMBL13158458 0.91 PTGS2 (0.52) HPGDMAPTPTGS2TP53SMURF1
SCHEMBL13158460 0.90 RAB9A (0.53) HPGDMAPTPTGS2TP53SMURF1
SCHEMBL13158446 0.89 PTGS2 (0.46) MAPTPTGS2TP53CA2CA1
SCHEMBL13158427 0.87 PTGS2 (0.49) HPGDMAPTPTGS2TP53SMURF1
SCHEMBL13158457 0.86 MAPK14 (0.48) MAPTPTGS2TP53CA2CA1
SCHEMBL13158482 0.85 PTGS2 (0.49) HPGDMAPTPTGS2TP53SMURF1
SCHEMBL3105762 0.84 PTGS2 (0.46) HPGDMAPTPTGS2TP53SMURF1
SCHEMBL13158456 0.84 PTGS2 (0.46) HPGDMAPTPTGS2TP53SMURF1
SCHEMBL3112232 0.84 RXFP1 (0.43) HPGDMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13158440 0.84 MAPK14 (0.52) HPGDMAPTPTGS2TP53SMURF1

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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 HPGD 800/4885MAPT 4724/4885GRM1 1495/4885

“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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