SCHEMBL24393471

SCHEMBL24393471

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ HTT P42858 1/20 0.37
▸ MMP13 P45452 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35

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
SCHEMBL24101234 0.90 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL25993246 0.90 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL25124522 0.82 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL25993243 0.82 NPC1 (0.43) SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18499691 0.81 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL19915498 0.81 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL26230924 0.81 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL19372449 0.81 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL12245290 0.81 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20016646 0.80 RAB9A (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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-20220133902-A1 Composition Comprising a Combination of Immune Checkpoint Inhibitor and Antibody-Amatoxin Conjugate for Use in Cancer Therapy HEIDELBERG PHARMA RESEARCH GMBH (DE) 2022-05-05 — — 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-20220133902-A1 Composition Comprising a Combination of Immune Checkpoint Inhibitor and Antibody-Amatoxin Conjugate for Use in Cancer Therapy CD47, CD274, PDCD1LG2 MEN1 134/4885KMT2A 971/4885SMN1; SMN2 3406/4885

“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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