SCHEMBL21800134

SCHEMBL21800134

CC(C(=O)N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ CRHBP P24387 2/20 0.50
▸ CRHR2 Q13324 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PHLPP2 Q6ZVD8 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CES2 O00748 1/20 0.45

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
SCHEMBL27798639 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AL3MBTL1CRHBPCRHR2
SCHEMBL1492534 0.82 NPSR1 (0.50) ALDH1A1KMT2AL3MBTL1ATMTDP1
SCHEMBL262538 0.77 AKR1C3 (0.59) ALDH1A1KMT2AL3MBTL1MEN1GAA
SCHEMBL350868 0.77 AKR1C3 (0.59) ALDH1A1KMT2AL3MBTL1MEN1GAA
SCHEMBL1343164 0.77 AKR1C3 (0.59) ALDH1A1KMT2AL3MBTL1MEN1GAA
SCHEMBL21247872 0.76 ALDH1A1 (0.67) ALDH1A1KMT2AL3MBTL1CRHBPCRHR2
Hydrochloric Acid SCHEMBL18045574 0.76 AKR1C3 (0.58) ALDH1A1KMT2AL3MBTL1MEN1GAA
SCHEMBL27542302 0.76 MAPT (0.56) ALDH1A1KMT2AL3MBTL1MEN1GAA
SCHEMBL5841770 0.74 ALDH1A1 (0.65) ALDH1A1KMT2AL3MBTL1CRHBPCRHR2
SCHEMBL9507468 0.74 CRHBP (0.64) ALDH1A1KMT2AL3MBTL1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590919-B1 ENAMINE COMPOUND AND USE THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2024-04-24 — — EP disclosed
US-11773052-B2 Enamine compound and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2023-10-03 — — US disclosed
US-20200087245-A1 ENAMINE COMPOUND AND USE THEREOF JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2020-03-19 — — 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-20200087245-A1 ENAMINE COMPOUND AND USE THEREOF ENY2, AHR, PAH ALDH1A1 974/4885KMT2A 2579/4885L3MBTL1 2033/4885
US-11773052-B2 Enamine compound and use thereof ENY2, AHR, PAH ALDH1A1 974/4885KMT2A 2579/4885L3MBTL1 2033/4885

“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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