SCHEMBL18803167

SCHEMBL18803167

CN1CCN(C(=O)CN=[N+]=[N-])CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HTR1A P08908 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ PHGDH O43175 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34

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
SCHEMBL27165476 0.90 ALDH1A1 (0.38) GAATDP1KMT2ASMN1; SMN2HTT
SCHEMBL17848825 0.83 MEN1 (0.33) GAATDP1KMT2AJAK2JAK1
SCHEMBL13655626 0.82 ATM (0.45) GAATDP1KMT2ASMN1; SMN2HTT
SCHEMBL28395559 0.81 ATM (0.43) GAATDP1KMT2ASMN1; SMN2HTT
SCHEMBL17848849 0.81 JAK2 (0.33) JAK2JAK1
SCHEMBL15832603 0.79 ALDH1A1 (0.53) GAAMAPTKMT2ASMN1; SMN2PHGDH
SCHEMBL29969222 0.78 CA2 (0.39) GAAKMT2APOLBJAK2JAK1
SCHEMBL13655637 0.78 L3MBTL1 (0.48) GAAKMT2ASMN1; SMN2HTTPOLB
SCHEMBL17820875 0.77 USP2 (0.45) KMT2ASMN1; SMN2
SCHEMBL19121772 0.76 POLB (0.35) GAATDP1KMT2APOLBL3MBTL1

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-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 — — 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-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB GAA 1981/4885TDP1 3796/4885CYP1A2 4376/4885

“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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