SCHEMBL24393521

SCHEMBL24393521

O=C(Cl)N(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ CES1 P23141 2/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TSHR P16473 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ FBP1 P09467 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PHLPP2 Q6ZVD8 1/20 0.44
▸ CES2 O00748 1/20 0.44

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
SCHEMBL11612271 0.93 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AL3MBTL1CES1
SCHEMBL11844605 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1CES1
SCHEMBL9836813 0.82 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1CES1
SCHEMBL29182467 0.82 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1CES1
SCHEMBL11743333 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1CES1
SCHEMBL9837196 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1CES1
SCHEMBL9836362 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1CES1
SCHEMBL10963201 0.80 CA1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1CES1
SCHEMBL1177204 0.80 TSHR (0.57) ALDH1A1MEN1KMT2AL3MBTL1CES1
SCHEMBL21247872 0.77 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AL3MBTL1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144760-A1 METHOD OF PRODUCING CARBONYL COMPOUND AND FLOW TYPE REACTION SYSTEM OF PRODUCING CARBONYL COMPOUND FUJIFILM CORPORATION (JP) 2022-05-12 — — US disclosed
US-20220135517-A1 METHOD OF PRODUCING CARBONYL COMPOUND AND FLOW TYPE REACTION SYSTEM OF PRODUCING CARBONYL COMPOUND FUJIFILM CORPORATION (JP) 2022-05-05 — — 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-20220135517-A1 METHOD OF PRODUCING CARBONYL COMPOUND AND FLOW TYPE REACTION SYSTEM OF PRODUCING CARBONYL COMPOUND PARG, PTGIS, MT-ATP8 ALDH1A1 2022/4885MEN1 3206/4885KMT2A 3614/4885
US-20220144760-A1 METHOD OF PRODUCING CARBONYL COMPOUND AND FLOW TYPE REACTION SYSTEM OF PRODUCING CARBONYL COMPOUND NOXO1, MT-CO2, MT-ATP8 ALDH1A1 1083/4885MEN1 3530/4885KMT2A 2633/4885

“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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