SCHEMBL19342816

SCHEMBL19342816

CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(N3CCCCC3)c2s1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.41
▸ ABL1 P00519 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PIK3CD O00329 1/20 0.38

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
SCHEMBL15259975 0.91 MTOR (0.51) MTORPIK3CD
SCHEMBL15260141 0.87 MTOR (0.38) MTORABL1NPC1RAB9ASMN1; SMN2
SCHEMBL16975300 0.85 MTOR (0.37) MTORABL1NPC1RAB9ASMN1; SMN2
SCHEMBL17269099 0.85 MTOR (0.47) MTORABL1PIK3CD
SCHEMBL16975328 0.84 MTOR (0.37) MTORABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15260270 0.82 NPC1 (0.43) ABL1NPC1RAB9ASMN1; SMN2PIK3CD
SCHEMBL15260010 0.81 ABL1 (0.48) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL17269093 0.80 NPC1 (0.38) MTORABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15260078 0.80 AURKA (0.37) MTORABL1NPC1RAB9ASMN1; SMN2
SCHEMBL16975227 0.79 MTOR (0.36) MTORABL1

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-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — US disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD MTOR 240/4885ABL1 1389/4885NPC1 1870/4885

“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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