SCHEMBL1703409

SCHEMBL1703409

CCOC(C)CNCc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MC5R P33032 2/20 0.46
MAPK1 P28482 1/20 0.46
MC1R Q01726 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMPD1 P17405 1/20 0.43
ESR1 P03372 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL289138 0.87 KMT2A (0.49) DNM1KMT2AMEN1MC5RMAPK1
SCHEMBL14531033 0.84 DNM1 (0.53) DNM1KMT2AMEN1MC5RMAPK1
SCHEMBL13430504 0.83 KMT2A (0.49) DNM1KMT2AMEN1MC5RMAPK1
SCHEMBL17240223 0.81 DNM1 (0.55) DNM1KMT2AMEN1MC5RMAPK1
SCHEMBL20824981 0.81 DNM1 (0.44) DNM1KMT2AMEN1MC5RMAPK1
SCHEMBL20824982 0.78 DNM1 (0.52) DNM1KMT2AMEN1MC5RMAPK1
SCHEMBL20495646 0.78 DNM1 (0.52) DNM1KMT2AMEN1MC5RMAPK1
SCHEMBL13995739 0.78 DNM1 (0.52) DNM1KMT2AMEN1MC5RMAPK1
SCHEMBL1703807 0.78 HTR5A (0.48) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL20495653 0.77 KMT2A (0.60) DNM1KMT2AMEN1MC5RMAPK1

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
US-20230374034-A1 NOVEL BICYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-11-23 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-9555061-B2 Synthesis and analysis of compounds capable of inducing differentiation of human mesenchymal stems cells into hepatocytes National University Corporation Torrori University (JP) 2017-01-31 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 US disclosed
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed
US-20140112892-A1 SYNTHESIS AND ANALYSIS OF NOVEL COMPOUND CAPABLE OF INDUCING DIFFERENTIATION OF HUMAN MESENCHYMAL STEM CELL INTO HEPATOCYTE NATIONAL UNIVERSITY CORPORATION TOTTORI UNIVERSITY (JP) 2014-04-24 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 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 (5 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-20230374034-A1 NOVEL BICYCLIC COMPOUNDS NOTCH1, NOTCH2, HES1 DNM1 63/4885KMT2A 2051/4885MEN1 314/4885
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO DNM1 745/4885KMT2A 3392/4885MEN1 1064/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO DNM1 745/4885KMT2A 3392/4885MEN1 1064/4885
US-20140112892-A1 SYNTHESIS AND ANALYSIS OF NOVEL COMPOUND CAPABLE OF INDUCING DIFFERENTIATION OF HUMAN MESENCHYMAL STEM CELL INTO HEPATOCYTE HGF, FABP1, CD14 DNM1 2935/4885KMT2A 3564/4885MEN1 3339/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO DNM1 745/4885KMT2A 3392/4885MEN1 1064/4885

“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.