SCHEMBL463757

SCHEMBL463757

CC(N)CCCNC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.36
NPY4R P50391 7/20 0.34
NPY1R P25929 5/20 0.34
NPY2R P49146 3/20 0.34
NPY5R Q15761 3/20 0.34
DPP7 Q9UHL4 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32

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
SCHEMBL13865707 1.00 MEN1 (0.42) MEN1CYP1A2KMT2ASMN1; SMN2OPRM1
SCHEMBL20969045 1.00 MEN1 (0.42) MEN1CYP1A2KMT2ASMN1; SMN2OPRM1
SCHEMBL11418945 0.94 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2OPRM1
SCHEMBL17525175 0.94 MEN1 (0.46) MEN1CYP1A2KMT2ASMN1; SMN2OPRM1
SCHEMBL434308 0.92 MEN1 (0.48) MEN1CYP1A2KMT2ASMN1; SMN2OPRM1
SCHEMBL15925196 0.86
SCHEMBL26020020 0.86
SCHEMBL7935092 0.84 MEN1 (0.44) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL12664131 0.83 MEN1 (0.40) MEN1CYP1A2KMT2ASMN1; SMN2ALOX15
SCHEMBL17030187 0.83 MEN1 (0.42) MEN1CYP1A2KMT2ASMN1; 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081363-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-04-18 WO disclosed
US-20230312599-A1 ALDOSE REDUCTASE INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-10-05 US disclosed
EP-4183774-A1 SULFONYLUREA DERIVATIVE AND MEDICAL USES THEREOF Shanghai Senhui Medicine Co., Ltd. (CN) 2023-05-24 EP disclosed
EP-3079015-B1 PHOTOMASK BLANK, RESIST PATTERN FORMING PROCESS, AND METHOD FOR MAKING PHOTOMASK SHINETSU CHEMICAL CO (JP) 2020-04-29 EP disclosed
EP-3233844-B1 3-(6-ALKOXY-5-CHLOROBENZO[D]ISOXAZOL-3-YL)PROPANOIC ACID USEFUL AS KYNURENINE MONOOXYGENASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-05-15 EP disclosed
US-8871252-B2 pH-responsive liposome NANOTHETA CO, LTD. (JP) 2014-10-28 US disclosed
US-8871883-B2 Biocompatible coating for implantable medical devices ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2014-10-28 US disclosed
US-20140228435-A1 COMPOSITION AND METHOD OF SYNTHESIZING A BIOMOLECULE AND ITS THERAPEUTICS APPLICATIONS BAKHTIARI MEHDI (IR) 2014-08-14 US disclosed
US-8222255-B2 Antifungal agents MERCK SHARP & DOHME CORP. (US) 2012-07-17 US disclosed
US-20120064148-A1 PH-RESPONSIVE LIPOSOME BIONANOSHEETER CO., LTD. (JP) 2012-03-15 US disclosed
EP-2407158-A1 PH-RESPONSIVE LIPOSOME Bionanosheeter Co., Ltd. (JP) 2012-01-18 EP disclosed
US-20110172225-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2011-07-14 US disclosed
US-7838685-B2 novel complex lipid having a cationic functional group derived from an amino acid; useful as a component of a stable, safe and functional carrier of a substance having an efficacy in pharmaceutical drugs, reagents, cosmetics and the like Takeoka, Shinji (JP) 2010-11-23 US disclosed
US-7838685-B2 novel complex lipid having a cationic functional group derived from an amino acid; useful as a component of a stable, safe and functional carrier of a substance having an efficacy in pharmaceutical drugs, reagents, cosmetics and the like Takeoka, Shinji (JP) 2010-11-23 US disclosed
US-20100292426-A1 BIOCOMPATIBLE COATING FOR IMPLANTABLE MEDICAL DEVICES HOSSAINY SYED F A 2010-11-18 US disclosed
US-7776926-B1 Blend of a biologically compatible structural component such as an acrylic ester (co)polymer, and a copolymer having a biobeneficial or bioactive moiety, such as a block copolymer of polyethylene glycol and a polyacrylate; coating medical devices such as stents ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2010-08-17 US disclosed
US-20100121105-A1 Composition and Method of synthesizing a biomolecule and its therapeutics applications BAKHTIARI MEHDI 2010-05-13 US disclosed
WO-2009045311-A1 ANTIFUNGAL AGENTS MERCK & CO., INC. (US) 2009-04-09 WO disclosed
US-20090012306-A1 Cationic Amino Acid Type Lipid Takeoka, Shinji (JP) 2009-01-08 US disclosed
US-20090012306-A1 Cationic Amino Acid Type Lipid Takeoka, Shinji (JP) 2009-01-08 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 (6 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-20140228435-A1 COMPOSITION AND METHOD OF SYNTHESIZING A BIOMOLECULE AND ITS THERAPEUTICS APPLICATIONS PRKCZ, PRKCH, PRKCD MEN1 1128/4885CYP1A2 4230/4885KMT2A 2480/4885
US-20120064148-A1 PH-RESPONSIVE LIPOSOME LIPA, SMPD3, SMPD1 MEN1 652/4885CYP1A2 4841/4885KMT2A 2691/4885
US-20110172225-A1 ANTIFUNGAL AGENTS GMDS, GBA3, UGGT1 MEN1 730/4885CYP1A2 567/4885KMT2A 4695/4885
US-20230312599-A1 ALDOSE REDUCTASE INHIBITORS AND METHODS OF USE THEREOF ALDOA, AKR1B1, AKR1C2 MEN1 4369/4885CYP1A2 1273/4885KMT2A 4110/4885
US-20090012306-A1 Cationic Amino Acid Type Lipid SLC7A1, NCEH1, DAO MEN1 2776/4885CYP1A2 2136/4885KMT2A 1536/4885
US-20100121105-A1 Composition and Method of synthesizing a biomolecule and its therapeutics applications GHRHR, GHSR, IGF1R MEN1 774/4885CYP1A2 4308/4885KMT2A 2659/4885

“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.