SCHEMBL31601092

SCHEMBL31601092

[N-]=[N+]=C1C=CC=C(C(=O)Nc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PTPN1 P18031 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 3/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
SIRT1 Q96EB6 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL31601088 0.95 CHRNB2 (0.38) ALDH1A1PTPN1SMN1; SMN2NPC1RAB9A
SCHEMBL31601089 0.79
SCHEMBL31601081 0.74 GAA (0.30) GAA
SCHEMBL31601070 0.72 TSHR (0.31) KMT2AHSD17B10TSHRTDP1
SCHEMBL12247923 0.70 HPGD (0.51) ALDH1A1PTPN1SMN1; SMN2GAAKDM4E
SCHEMBL18250666 0.68 PTPN1 (0.43) ALDH1A1PTPN1SMN1; SMN2RAB9AGAA
SCHEMBL31601085 0.67
SCHEMBL4771907 0.67 ALDH1A1 (0.42) ALDH1A1PTPN1SMN1; SMN2NPC1RAB9A
SCHEMBL31601004 0.66
SCHEMBL5137967 0.65 HPGD (0.41) ALDH1A1PTPN1SMN1; 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-20250170265-A1 DIAZONIUM COMPOUNDS AND METHODS OF USE FOR DNA CLEAVAGE NEW YORK UNIVERSITY (US) 2025-05-29 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-20250170265-A1 DIAZONIUM COMPOUNDS AND METHODS OF USE FOR DNA CLEAVAGE OGG1, UNG, DNMT3A ALDH1A1 1349/4885PTPN1 3624/4885SMN1; SMN2 1633/4885

“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.