SCHEMBL6997770

SCHEMBL6997770

CC(C)(C)n1nc(-c2ccccc2)c2c(NC(=O)c3ccc(Cl)c(Cl)c3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
VCP P55072 2/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSMC4 P43686 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SLC16A3 O15427 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
HTT P42858 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
SCHEMBL6995505 0.89 KDM4E (0.47) VCPKMT2ALMNAALDH1A1MEN1
SCHEMBL7003186 0.87 KDM4E (0.48) VCPLMNAALDH1A1MAPTNPC1
SCHEMBL7005722 0.85 KDM4E (0.48) VCPKMT2ALMNAALDH1A1MEN1
SCHEMBL6999715 0.85 NR1H4 (0.49) VCPKMT2ALMNAALDH1A1MEN1
SCHEMBL7003800 0.85 MAPT (0.45) VCPKMT2ALMNAHDAC1MEN1
SCHEMBL7004924 0.83 VCP (0.44) VCPLMNAHDAC1MAPTNPC1
SCHEMBL6995378 0.81 ABCG2 (0.48) VCPPSMC4
SCHEMBL6997961 0.81 VCP (0.48) VCPLMNAALDH1A1HDAC1MAPT
SCHEMBL7001373 0.80 VCP (0.47) VCPLMNAALDH1A1MAPTHPGD
SCHEMBL7005671 0.78 VCP (0.51) VCPLMNAALDH1A1NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140938-B1 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF UNIV PRINCETON (US) 2003-08-27 EP disclosed
EP-1321467-A2 High affinity inhibitors for target validation and uses thereof Princeton University (US) 2003-06-25 EP disclosed
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof PRINCETON UNIVERSITY 2003-04-17 US disclosed
US-6383790-B1 PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS PRINCETON UNIVERSITY 2002-05-07 US disclosed
EP-1140938-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF Princeton University (US) 2001-10-10 EP disclosed
WO-2000042042-A2 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF PRINCETON UNIVERSITY (US) 2000-07-20 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 (1 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-20030073218-A1 High affinity inhibitors for target validation and uses thereof SRC, MARCKS, TEC PTGDR2 4841/4885VCP 710/4885KMT2A 1634/4885

“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.