SCHEMBL13158474

SCHEMBL13158474

Cc1c(C(=O)NC2CC2)nnn1-c1ccc(C(=O)NCCCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MLYCD O95822 2/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ TP53 P04637 2/20 0.47
▸ EPHX1 P07099 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ RIPK1 Q13546 1/20 0.44
▸ ALOX12 P18054 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ REV1 Q9UBZ9 1/20 0.43

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
SCHEMBL13158472 0.94 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MLYCDTGM2
SCHEMBL13158469 0.89 MAPK14 (0.53) POLBSMN1; SMN2TP53RIPK1ALOX12
SCHEMBL3120900 0.88 RAB9A (0.46) RAB9ANPC1KDM4EPOLBSMN1; SMN2
SCHEMBL13158468 0.87 NPC1 (0.50) RAB9ANPC1SMN1; SMN2TP53ALOX12
SCHEMBL13158475 0.86 MAPK14 (0.48) RAB9ANPC1SMN1; SMN2MLYCDTP53
SCHEMBL13158464 0.85 PTGS2 (0.46) RAB9ANPC1SMN1; SMN2TP53RIPK1
SCHEMBL13158428 0.85 PTGS2 (0.46) RAB9ATP53RIPK1ALOX12
SCHEMBL3105762 0.84 PTGS2 (0.46) RAB9ATP53RIPK1ALOX12
SCHEMBL13158458 0.83 PTGS2 (0.52) RAB9ANPC1SMN1; SMN2TP53RIPK1
SCHEMBL3101218 0.83 OPRM1 (0.46) RAB9ANPC1SMN1; SMN2TGM2GAA

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 RAB9A 2959/4885NPC1 2145/4885KDM4E 3414/4885

“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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