SCHEMBL22096204

SCHEMBL22096204

N[C@@H](Cc1ccc(N(CCCl)CCOC(=O)[C@@H](N)Cc2ccc(N(CCCl)CCCl)cc2)cc1)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.80
▸ CYP3A4 P08684 3/20 0.80
▸ ALDH1A1 P00352 3/20 0.80
▸ SMN1; SMN2 Q16637 3/20 0.80
▸ LMNA P02545 3/20 0.80
▸ KMT2A Q03164 3/20 0.80
▸ ALOX15 P16050 2/20 0.80
▸ NFKB1 P19838 2/20 0.80
▸ THPO P40225 2/20 0.80
▸ MAPT P10636 2/20 0.80
▸ PMP22 Q01453 2/20 0.80
▸ PTGS1 P23219 2/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ ABCB11 O95342 1/20 0.80
▸ CHRM2 P08172 1/20 0.80
▸ ADRA2A P08913 1/20 0.80
▸ CHRM1 P11229 1/20 0.80
▸ ACHE P22303 1/20 0.80
▸ OPRM1 P35372 1/20 0.80
▸ DRD3 P35462 1/20 0.80

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
SCHEMBL21349519 1.00 HIF1A (0.80) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Melphalan SCHEMBL5872 0.89 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
(R)-Melphalan SCHEMBL5873 0.89 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Melphalan SCHEMBL5325132 0.89 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Sarcolysin SCHEMBL414671 0.89 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Melphalan SCHEMBL563239 0.89 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Melphalan SCHEMBL41335 0.88 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Melphalan SCHEMBL4150935 0.88 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Melphalan SCHEMBL11029192 0.88 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Sarcolysin SCHEMBL2680958 0.88 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA

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-10682326-B1 Stable melphalan liquid injectable formulations SHILPA MEDICARE LIMITED 2020-06-16 — — 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-10682326-B1 Stable melphalan liquid injectable formulations IL2, MGMT, MCL1 HIF1A 1917/4885CYP3A4 4275/4885ALDH1A1 1650/4885

“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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