SCHEMBL30826091

SCHEMBL30826091

C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 7/20 0.76
▸ ALDH1A1 P00352 6/20 0.76
▸ HTT P42858 4/20 0.76
▸ KMT2A Q03164 3/20 0.76
▸ MEN1 O00255 2/20 0.76
▸ TDP1 Q9NUW8 2/20 0.76
▸ POLB P06746 1/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.76
▸ RAB9A P51151 7/20 0.68
▸ NPC1 O15118 6/20 0.68
▸ OPRK1 P41145 5/20 0.68
▸ KDM4E B2RXH2 3/20 0.67
▸ GAA P10253 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MITF O75030 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56

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
SCHEMBL27178020 1.00 AGTR1 (0.76) AGTR1ALDH1A1HTTKMT2AMEN1
SCHEMBL27178028 1.00 AGTR1 (0.76) AGTR1ALDH1A1HTTKMT2AMEN1
SCHEMBL27177955 0.82 MAPT (0.69) AGTR1ALDH1A1HTTKMT2AMEN1
SCHEMBL27177946 0.82 MAPT (0.69) AGTR1ALDH1A1HTTKMT2AMEN1
SCHEMBL30826118 0.82 MAPT (0.69) AGTR1ALDH1A1HTTKMT2AMEN1
SCHEMBL27178031 0.82 NPC1 (0.62) AGTR1ALDH1A1HTTKMT2AMEN1
SCHEMBL30826076 0.82 NPC1 (0.62) AGTR1ALDH1A1HTTKMT2AMEN1
SCHEMBL27178186 0.82 NPC1 (0.76) AGTR1ALDH1A1HTTKMT2AMEN1
SCHEMBL30826068 0.82 NPC1 (0.76) AGTR1ALDH1A1HTTKMT2AMEN1
SCHEMBL27178190 0.82 NPC1 (0.76) AGTR1ALDH1A1HTTKMT2AMEN1

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-20240101510-A1 APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 — — 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-20240101510-A1 APYRASE INHIBITORS APEH, DPEP1, PON1 AGTR1 865/4885ALDH1A1 827/4885HTT 4576/4885

“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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