SCHEMBL13158475

SCHEMBL13158475

CCCCCNC(=O)c1ccc(-n2nnc(C(=O)NC3CC3)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MLYCD O95822 1/20 0.45
▸ NAAA Q02083 2/20 0.44
▸ REV1 Q9UBZ9 1/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ TP53 P04637 3/20 0.43
▸ ALOX12 P18054 1/20 0.41
▸ NR1I2 O75469 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
SCHEMBL13158468 0.97 NPC1 (0.50) MAPK14L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL13158464 0.93 PTGS2 (0.46) MAPK14NPC1RAB9ASMN1; SMN2REV1
SCHEMBL3105762 0.89 PTGS2 (0.46) RAB9APTGS2CA2CA1TP53
SCHEMBL13158428 0.88 PTGS2 (0.46) MAPK14RAB9APTGS2CA2CA1
SCHEMBL3110664 0.88 MAPK14 (0.47) MAPK14L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL13158458 0.87 PTGS2 (0.52) NPC1RAB9ASMN1; SMN2PTGS2CA2
SCHEMBL13158440 0.86 MAPK14 (0.52) MAPK14NPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL13158474 0.86 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MLYCDREV1
SCHEMBL3112608 0.84 NPC1 (0.48) MAPK14L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL13158457 0.84 MAPK14 (0.48) MAPK14RAB9AMLYCDPTGS2CA2

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 MAPK14 1769/4885L3MBTL1 1781/4885NPC1 2145/4885

“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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