SCHEMBL25993243

SCHEMBL25993243

CNCc1ccc(NC(=O)[C@H](C)NC(=O)C(N)C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SPHK1 Q9NYA1 7/20 0.42
▸ MAPT P10636 1/20 0.40
▸ S1PR1 P21453 3/20 0.39
▸ S1PR3 Q99500 3/20 0.39
▸ S1PR4 O95977 2/20 0.39
▸ S1PR5 Q9H228 2/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CIT O14578 1/20 0.38
▸ LTA4H P09960 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
SCHEMBL20863906 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SPHK1MAPT
SCHEMBL20864026 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SPHK1MAPT
SCHEMBL12243459 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SPHK1MAPT
SCHEMBL16401886 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SPHK1MAPT
SCHEMBL20733347 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SPHK1MAPT
SCHEMBL19358962 0.86 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2SPHK1MAPT
SCHEMBL22283234 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2SPHK1MAPT
SCHEMBL24101234 0.84 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2SPHK1MAPT
SCHEMBL25993246 0.84 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2SPHK1MAPT
SCHEMBL30634406 0.83 LSS (0.43) NPC1RAB9ASMN1; SMN2SPHK1MAPT

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-20230233703-A1 AMANITIN CONJUGATES HEIDELBERG PHARMA RESEARCH GMBH (DE) 2023-07-27 — — 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-20230233703-A1 AMANITIN CONJUGATES CD47, MTX1, SIGLEC7 NPC1 3747/4885RAB9A 1706/4885SMN1; SMN2 2480/4885

“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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