SCHEMBL23601591

SCHEMBL23601591

O=C(O)C(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
GAA P10253 1/20 0.72
POLB P06746 4/20 0.69
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
AADAT Q8N5Z0 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
TSHR P16473 1/20 0.56
CYP2D6 P10635 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
NFKB1 P19838 1/20 0.51
APEX1 P27695 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL10615422 1.00 ALDH1A1 (0.72) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL1595963 0.85 KMT2A (0.56) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL30216480 0.84 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL4861809 0.84 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL392680 0.84 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL478614 0.84 ALDH1A1 (1.00) ALDH1A1GAAPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL7840775 0.83 ALDH1A1 (0.97) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL13659482 0.83 POLB (0.63) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL6692611 0.82 POLB (1.00) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL11463170 0.82 POLB (1.00) ALDH1A1GAAPOLBKMT2AMEN1

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
US-11787761-B2 Process for the synthesis of Melphalan INDENA S.P.A. (IT) 2023-10-17 US disclosed
US-20230286901-A1 PROCESS FOR THE SYNTHESIS OF MELPHALAN INDENA S.P.A. (IT) 2023-09-14 US disclosed
WO-2021130163-A1 A PROCESS FOR THE SYNTHESIS OF MELPHALAN INDENA S.P.A. (IT) 2021-07-01 WO 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-11787761-B2 Process for the synthesis of Melphalan PAH, TYR, MARS1 ALDH1A1 2246/4885GAA 2121/4885POLB 1783/4885
US-20230286901-A1 PROCESS FOR THE SYNTHESIS OF MELPHALAN PAH, TYR, IL4I1 ALDH1A1 2234/4885GAA 2092/4885POLB 1984/4885

“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.