SCHEMBL29618079

SCHEMBL29618079

Nc1ccncc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 4/20 0.57
TDP1 Q9NUW8 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 2/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 2/20 0.43
GSK3B P49841 1/20 0.43
HASPIN Q8TF76 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL1085604 1.00 ALDH1A1 (0.57) ALDH1A1MAPTTDP1MEN1KMT2A
Methane SCHEMBL28322282 0.98 ALDH1A1 (0.55) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL1284068 0.83 MAPT (0.53) ALDH1A1MAPTTDP1MEN1KMT2A
Ethoxycarbonyl Group SCHEMBL28109244 0.82 MAPT (0.43) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL2219710 0.81 ALDH1A1 (0.48) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL8568179 0.80 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2APOLB
Ethylene SCHEMBL27749127 0.77 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3577339 0.76 MAPT (0.52) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL319309 0.75 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL227454 0.75 ALDH1A1 (0.49) ALDH1A1MAPTTDP1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127231-A1 PROCESS FOR THE PREPARTION OF AMIFAMPRIDINE PHOSPHATE SHILPA MEDICARE LTD (IN) 2022-04-28 US claimed
US-20240092779-A1 USP1 INHIBITORS AND USES THEREOF ZENTAUR THERAPEUTICS USA INC. 2024-03-21 US disclosed
CN-117720533-A MetTL3 inhibitor compound and pharmaceutical composition and application thereof 北京华益健康药物研究中心 2024-03-19 CN disclosed
CN-117396473-A Imidazopyridinyl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed
US-20220127231-A1 PROCESS FOR THE PREPARTION OF AMIFAMPRIDINE PHOSPHATE SHILPA MEDICARE LTD (IN) 2022-04-28 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 (2 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-20220127231-A1 PROCESS FOR THE PREPARTION OF AMIFAMPRIDINE PHOSPHATE PMM2, TYMP, MVD ALDH1A1 964/4885MAPT 3088/4885TDP1 1107/4885
US-20240092779-A1 USP1 INHIBITORS AND USES THEREOF USP1, USP28, USP2 ALDH1A1 788/4885MAPT 1272/4885TDP1 424/4885

“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.