SCHEMBL5024973

SCHEMBL5024973

NC(Cc1ccc(N(CCO)CCCl)cc1)C(=O)O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.89
▸ CYP3A4 P08684 3/20 0.89
▸ ALDH1A1 P00352 3/20 0.89
▸ SMN1; SMN2 Q16637 3/20 0.89
▸ ALOX15 P16050 3/20 0.89
▸ LMNA P02545 3/20 0.89
▸ PTGS1 P23219 3/20 0.89
▸ KMT2A Q03164 2/20 0.89
▸ NFKB1 P19838 2/20 0.89
▸ THPO P40225 2/20 0.89
▸ MAPT P10636 2/20 0.89
▸ PMP22 Q01453 2/20 0.89
▸ TDP1 Q9NUW8 2/20 0.89
▸ KDM4E B2RXH2 2/20 0.89
▸ ABCB11 O95342 1/20 0.89
▸ CHRM2 P08172 1/20 0.89
▸ ADRA2A P08913 1/20 0.89
▸ CHRM1 P11229 1/20 0.89
▸ ACHE P22303 1/20 0.89
▸ OPRM1 P35372 1/20 0.89

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
SCHEMBL14956630 1.00 HIF1A (0.89) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL5325132 0.94 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL563239 0.94 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Sarcolysin SCHEMBL414671 0.94 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL5872 0.94 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
(R)-Melphalan SCHEMBL5873 0.94 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL2723742 0.93 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL11029192 0.93 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL41335 0.93 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Sarcolysin SCHEMBL28782154 0.93 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283627-A Synthesis method of melphalan impurity G 深圳市江川医药技术有限公司 2023-06-23 — — CN claimed
CN-116283627-A Synthesis method of melphalan impurity G 深圳市江川医药技术有限公司 2023-06-23 — — CN disclosed
CN-116102444-A Purification method of melphalan impurity D 深圳振强生物技术有限公司 2023-05-12 — — CN disclosed
EP-3747428-A1 STABLE MELPHALAN LIQUID INJECTABLE FORMULATIONS Shilpa Medicare Limited (IN) 2020-12-09 — — EP disclosed
US-10682326-B1 Stable melphalan liquid injectable formulations SHILPA MEDICARE LIMITED 2020-06-16 — — US disclosed
WO-2012058325-A1 COMPOUNDS AND METHODS USEFUL FOR TREATMENT OF DISEASES MEDIATED BY HIF-1 ONCOTHYREON INC. (US) 2012-05-03 — — WO disclosed
WO-2011057220-A2 COMPOSITIONS AND METHODS FOR TREATING LYMPHOMA NORTHWESTERN UNIVERSITY (US) 2011-05-12 — — 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-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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