Metamelfalan

Metamelfalan

SCHEMBL2015272

NC(Cc1cccc(N(CCCl)CCCl)c1)C(=O)O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.70
▸ ALOX15 P16050 3/20 0.70
▸ HIF1A Q16665 3/20 0.70
▸ PTGS1 P23219 3/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ TDP1 Q9NUW8 2/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ ABCB11 O95342 1/20 0.70
▸ CHRM2 P08172 1/20 0.70
▸ ADRA2A P08913 1/20 0.70
▸ CHRM1 P11229 1/20 0.70
▸ ACHE P22303 1/20 0.70
▸ OPRM1 P35372 1/20 0.70
▸ DRD3 P35462 1/20 0.70
▸ SLC6A3 Q01959 1/20 0.70
▸ KCNH2 Q12809 1/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ NFKB1 P19838 1/20 0.70

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
Metamelfalan SCHEMBL30781236 1.00 CYP3A4 (0.70) CYP3A4ALOX15HIF1APTGS1ALDH1A1
Metamelfalan SCHEMBL6842568 1.00 CYP3A4 (0.70) CYP3A4ALOX15HIF1APTGS1ALDH1A1
Metamelfalan SCHEMBL2015275 1.00 CYP3A4 (0.70) CYP3A4ALOX15HIF1APTGS1ALDH1A1
Melphalan SCHEMBL4984726 0.84 HIF1A (0.91) CYP3A4ALOX15HIF1APTGS1ALDH1A1
SCHEMBL18427979 0.84 IDO1 (0.57) CYP3A4ALOX15HIF1APTGS1ALDH1A1
SCHEMBL19714971 0.84 IDO1 (0.57) CYP3A4ALOX15HIF1APTGS1ALDH1A1
SCHEMBL18427948 0.84 IDO1 (0.57) CYP3A4ALOX15HIF1APTGS1ALDH1A1
SCHEMBL6843476 0.83 SMN1; SMN2 (0.53) CYP3A4ALOX15HIF1APTGS1ALDH1A1
SCHEMBL2778981 0.83 NOS3 (0.56) CYP3A4ALOX15HIF1APTGS1ALDH1A1
SCHEMBL2778977 0.83 NOS3 (0.56) CYP3A4ALOX15HIF1APTGS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
WO-2011078782-A1 A COMPOSITION COMPRISING OF MELPHALAN DERIVATIVES AND GEMCITABINE OR ETOPOSIDE USEFUL IN THE TREATMENT OF CANCER ONCOPEPTIDES AB (SE) 2011-06-30 — — WO disclosed
EP-1290011-B1 MELPHALAN DERIVATIVES AND THEIR USE AS CANCER CHEMOTHERAPEUTIC DRUGS ONCOPEPTIDES AB (SE) 2010-02-24 — — EP disclosed
US-6992207-B2 Melphalan derivatives and their use as cancer chemotherapeutic drugs ONCOPEPTIDES AB (SE) 2006-01-31 — — US disclosed
US-20040097421-A1 Melphalan derivatives and their use as cancer chemotherapeutic drugs ONCOPEPTIDES INNOVATION AB (SE) 2004-05-20 — — US disclosed
US-5523084-A ANTICARCINOGENIC AGENTS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-06-04 — — US disclosed
US-5407672-A Reduces plasma level of large neutral amino acids to allow for increased melphalan transport into tumors CORNELL RESEARCH FOUNDATION, INC. (US) 1995-04-18 — — US disclosed
WO-1994023741-A1 ENHANCING THE ANTI-TUMOR EFFECT OF MELPHALAN WITH L-AMINO ACID OXIDASE CORNELL RESEARCH FOUNDATION, INC. (US) 1994-10-27 — — 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 (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-20040097421-A1 Melphalan derivatives and their use as cancer chemotherapeutic drugs MCL1, LNPEP, MYADM CYP3A4 4312/4885ALOX15 4196/4885HIF1A 693/4885

“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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