SCHEMBL22064637

SCHEMBL22064637

BC(=O)NC(C(=O)N[C@@H](C)C(=O)Nc1ccc(CC)cc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ TP53 P04637 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ FURIN P09958 1/20 0.40

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
SCHEMBL22266610 0.89 HTT (0.41) SMN1; SMN2TP53KMT2AMEN1ATM
SCHEMBL15099992 0.88 SMN1; SMN2 (0.48) SMN1; SMN2TP53KMT2AMEN1ATM
SCHEMBL21657990 0.86 KMT2A (0.45) SMN1; SMN2TP53KMT2AMEN1ATM
SCHEMBL24496722 0.82 KMT2A (0.46) SMN1; SMN2TP53KMT2AMEN1ATM
SCHEMBL27123687 0.81 HDAC3 (0.47) SMN1; SMN2TP53KMT2AMEN1ATM
SCHEMBL13775166 0.80 CRHBP (0.50) SMN1; SMN2TP53KMT2AMEN1ATM
SCHEMBL23330668 0.79 HTT (0.39) SMN1; SMN2TP53KMT2AMEN1HTT
SCHEMBL14862556 0.78 HTT (0.43) SMN1; SMN2TP53KMT2AMEN1ATM
SCHEMBL17593772 0.78 HTT (0.43) SMN1; SMN2TP53KMT2AMEN1ATM
SCHEMBL20067564 0.78 USP2 (0.45) SMN1; SMN2TP53KMT2AMEN1HTT

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 3 patents. 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
US-10961277-B2 Method for synthesizing amanitins HEIDELBERG PHARMA RESEARCH GMBH (DE) 2021-03-30 — — US disclosed
US-20200181200-A1 NOVEL METHOD FOR SYNTHESIZING AMANITINS HEIDELBERG PHARMA RESEARCH GMBH (DE) 2020-06-11 — — 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 (3 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 SMN1; SMN2 2480/4885TP53 1146/4885KMT2A 1722/4885
US-20200181200-A1 NOVEL METHOD FOR SYNTHESIZING AMANITINS CIAPIN1, ANXA5, AANAT SMN1; SMN2 4801/4885TP53 2404/4885KMT2A 2301/4885
US-10961277-B2 Method for synthesizing amanitins CIAPIN1, AANAT, ANXA5 SMN1; SMN2 4795/4885TP53 1547/4885KMT2A 1600/4885

“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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