Melphalan

Melphalan

SCHEMBL563239

N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O.N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 1.00
CYP3A4 P08684 3/20 1.00
ALDH1A1 P00352 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
ALOX15 P16050 3/20 1.00
LMNA P02545 3/20 1.00
PTGS1 P23219 3/20 1.00
KMT2A Q03164 2/20 1.00
NFKB1 P19838 2/20 1.00
THPO P40225 2/20 1.00
MAPT P10636 2/20 1.00
PMP22 Q01453 2/20 1.00
TDP1 Q9NUW8 2/20 1.00
KDM4E B2RXH2 2/20 1.00
ABCB11 O95342 1/20 1.00
CHRM2 P08172 1/20 1.00
ADRA2A P08913 1/20 1.00
CHRM1 P11229 1/20 1.00
ACHE P22303 1/20 1.00
OPRM1 P35372 1/20 1.00

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
Sarcolysin SCHEMBL414671 1.00 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL5872 1.00 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
(R)-Melphalan SCHEMBL5873 1.00 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL5325132 1.00 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL41335 0.98 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL2723742 0.98 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Sarcolysin SCHEMBL2680958 0.98 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL4150935 0.98 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Sarcolysin SCHEMBL29061034 0.98 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15
Melphalan SCHEMBL11029192 0.98 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 155 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244457-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT UNIV KANSAS (US) 2016-08-25 US claimed
US-20150197526-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT UNIVERSITY OF KANSAS 2015-07-16 US claimed
WO-2012058269-A2 METHODS OF TREATING CANCER AND OTHER DISEASES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-05-03 WO claimed
US-20090208493-A1 Compounds and methods for the selective inhibition of ABCB1, ABCC1 and ABCG2 transporters and the treatment of cancers, especially drug resistant cancers and high throughput flow cytometry assay to detect selective inhibitors STC. UNM (US) 2009-08-20 US claimed
WO-2009070331-A2 COMPOUNDS AND METHODS FOR THE SELECTIVE INHIBITION OF ABCB1, ABCC1 AND ABCG2 TRANSPORTERS AND THE TREATMENT OF CANCERS, ESPECIALLY DRUG RESISTANT CANCERS AND HIGH THROUGHPUT FLOW CYTOMETRY ASSAY TO DETECT SELECTIVE INHIBITORS STC.UNM (US) 2009-06-04 WO claimed
WO-2007149103-A2 VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE KAISER DANIEL E (US) 2007-12-27 WO claimed
CN-1833636-A Application of biphenyl cyclooctadiene lignin in treatment of tumour medicine HU XUN (CN) 2006-09-20 CN claimed
CN-1762450-A Application of magnolia vine fruit in preparation of anti-tumor medicine or multi-medicine tolerant reversal agent HU XUN (CN) 2006-04-26 CN claimed
WO-2023174352-A1 CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 北京药明博锐生物科技有限公司 2023-09-21 WO disclosed
US-11622936-B2 Gastrointestinal site-specific oral vaccination formulations active on the ileum and appendix THERABIOME, LLC (US) 2023-04-11 US disclosed
CN-107074859-B Cyclohexylethyl substituted diaza-and triaza-tricyclics as indoleamine-2, 3-dioxygenase (IDO) antagonists for the treatment of cancer 默克专利有限公司 2021-08-06 CN disclosed
EP-3461477-B1 GASTROINTESTINAL SITE-SPECIFIC ORAL VACCINATION FORMULATIONS ACTIVE ON THE ILEUM AND APPENDIX THERABIOME LLC (US) 2021-06-30 EP disclosed
CN-112533621-A Cell-based agents for enhancing viral therapy 卡利迪生物治疗有限公司 2021-03-19 CN disclosed
US-20210030669-A1 GASTROINTESTINAL SITE-SPECIFIC ORAL VACCINATION FORMULATIONS ACTIVE ON THE ILEUM AND APPENDIX THERABIOME LLC (US) 2021-02-04 US disclosed
WO-2003069303-A2 ANTIMALARIAL AND ANTIPROLIFERATIVE PHARMACOPHORE MODELS, NOVEL TRYPTANTHRIN COMPOUNDS HAVING INCREASED SOLUBILITY, AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2003-08-21 WO disclosed
EP-1297002-A2 ISOLATION OF A CELL-SPECIFIC INTERNALIZING PEPTIDE THAT INFILTRATES TUMOR TISSUE FOR TARGETED DRUG DELIVERY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-04-02 EP disclosed
WO-2002085414-A2 NSAID FORMULATIONS COMPRISING LECITHIN OILS FOR PROTECTING THE GASTROINTESTINAL TRACT AND PROVIDING ENHANCED THERAPEUTIC ACTIVITY THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-10-31 WO disclosed
CN-1375332-A Composition and method for making Akt cancer gene inactivate and activating P38 precell fade-out gene UNIV TEXAS (US) 2002-10-23 CN disclosed
WO-2002080849-A2 CHEMOTHERAPEUTIC INDUCTION OF EGR-1 PROMOTER ACTIVITY UNIVERSITY OF CHICAGO (US) 2002-10-17 WO disclosed
WO-2002002147-A2 ISOLATION OF A CELL-SPECIFIC INTERNALIZING PEPTIDE THAT INFILTRATES TUMOR TISSUE FOR TARGETED DRUG DELIVERY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-01-10 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-20150197526-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT ABCB1, ABCG2, ABCC5 HIF1A 512/4885CYP3A4 424/4885ALDH1A1 427/4885
US-20160244457-A1 SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT ABCB1, ABCG2, ABCC5 HIF1A 512/4885CYP3A4 424/4885ALDH1A1 427/4885

“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.