SCHEMBL2388265

SCHEMBL2388265

N[C@H]1CC[C@H](CNCc2ccc(I)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.50
HDAC6 Q9UBN7 3/20 0.43
CXCR4 P61073 5/20 0.42
LTA4H P09960 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4929477 0.83 CXCR4 (0.59) HDAC6CXCR4LTA4HMEN1KMT2A
SCHEMBL4929472 0.83 CXCR4 (0.59) HDAC6CXCR4LTA4HMEN1KMT2A
SCHEMBL11935464 0.80 JAK2 (0.46) HDAC6CXCR4LTA4HMEN1KMT2A
SCHEMBL13439203 0.80 JAK2 (0.46) HDAC6CXCR4LTA4HMEN1KMT2A
SCHEMBL11934876 0.80 ALDH1A1 (0.44) HDAC6CXCR4LTA4HMEN1KMT2A
SCHEMBL2394663 0.80 CXCR3 (0.47) CXCR3HDAC6CXCR4LTA4HMEN1
SCHEMBL13438751 0.80 ALDH1A1 (0.44) HDAC6CXCR4LTA4HMEN1KMT2A
SCHEMBL11935114 0.78 SPHK1 (0.51) HDAC6LTA4HMEN1KMT2A
SCHEMBL2393127 0.77 CHEK1 (0.39) HDAC6CXCR4MEN1KMT2AHDAC8
SCHEMBL20625942 0.77 HDAC6 (0.49) HDAC6CXCR4LTA4HMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073898-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-07-07 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-8969351-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-03-03 US disclosed
EP-2640467-B1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION NOVARTIS AG (CH) 2014-12-17 EP disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
EP-2640467-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION Novartis AG (CH) 2013-09-25 EP disclosed
US-20130245036-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION NOVARTIS AG (CH) 2013-09-19 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
WO-2012066095-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120129871-A1 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2012-05-24 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 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 (4 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 CXCR3 1898/4885HDAC6 1090/4885CXCR4 475/4885
US-20130245036-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION MDM4, TP53, TP53BP1 CXCR3 4407/4885HDAC6 1856/4885CXCR4 2762/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 CXCR3 1898/4885HDAC6 1090/4885CXCR4 475/4885
US-20120129871-A1 Crystalline form of an inhibitor of MDM2/4 and p53 interaction MDM4, TP53, TP53BP1 CXCR3 4401/4885HDAC6 1725/4885CXCR4 2730/4885

“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.