SCHEMBL12595342

SCHEMBL12595342

Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccco3)cc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.80
MEN1 O00255 4/20 0.80
NPC1 O15118 1/20 0.80
ALDH1A1 P00352 13/20 0.75
KDM4E B2RXH2 13/20 0.75
MAPT P10636 4/20 0.75
NPSR1 Q6W5P4 4/20 0.75
HPGD P15428 3/20 0.75
HTT P42858 2/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2C9 P11712 1/20 0.75
CYP2C19 P33261 1/20 0.75
HSD17B10 Q99714 10/20 0.67
PKM P14618 4/20 0.67
USP2 O75604 3/20 0.67
TSHR P16473 6/20 0.65
LMNA P02545 5/20 0.65
ALOX15 P16050 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL12594549 0.89 ALDH1A1 (0.76) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL12595349 0.87 ALDH1A1 (0.82) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL12594530 0.87 ALDH1A1 (0.71) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL12595337 0.87 ALDH1A1 (0.71) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL4075910 0.85 KDM4E (0.75) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL2126105 0.82 ALDH1A1 (0.62) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL13496402 0.80 KMT2A (0.83) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL12594548 0.80 ALDH1A1 (0.83) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL13496413 0.79 KMT2A (0.82) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL13496406 0.79 ALDH1A1 (0.80) KMT2AMEN1NPC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546439-B2 Small molecule inhibitors of retroviral assembly and maturation NEW YORK BLOOD CENTER, INC. (US) 2013-10-01 US disclosed
US-8546439-B2 Small molecule inhibitors of retroviral assembly and maturation NEW YORK BLOOD CENTER, INC. (US) 2013-10-01 US disclosed
US-20130004458-A1 Small Molecule Inhibitors of Retroviral Assembly and Maturation NEW YORK BLOOD CENTER, INC. (US) 2013-01-03 US disclosed
US-20130004458-A1 Small Molecule Inhibitors of Retroviral Assembly and Maturation NEW YORK BLOOD CENTER, INC. (US) 2013-01-03 US disclosed
US-8299093-B2 Small molecule inhibitors of retroviral assembly and maturation NEW YORK BLOOD CENTER, INC. (US) 2012-10-30 US disclosed
US-8299093-B2 Small molecule inhibitors of retroviral assembly and maturation NEW YORK BLOOD CENTER, INC. (US) 2012-10-30 US disclosed
EP-2335779-A1 Small Molecule Inhibitors of Retroviral Assembly & Maturation New York Blood Center (US) 2011-06-22 EP disclosed
WO-2010017355-A2 SMALL MOLECULE INHIBITORS OF RETROVIRAL ASSEMBLY AND MATURATION NEW YORK BLOOD CENTER (US) 2010-02-11 WO disclosed
US-20100035912-A1 Small Molecule Inhibitors of Retroviral Assembly and Maturation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 US disclosed
US-20100035912-A1 Small Molecule Inhibitors of Retroviral Assembly and Maturation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 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 (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-20100035912-A1 Small Molecule Inhibitors of Retroviral Assembly and Maturation SARS1, EMG1, COPB1 KMT2A 2466/4885MEN1 4076/4885NPC1 1423/4885
US-20130004458-A1 Small Molecule Inhibitors of Retroviral Assembly and Maturation SARS1, EMG1, COPB1 KMT2A 2466/4885MEN1 4076/4885NPC1 1423/4885

“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.