SCHEMBL7005671

SCHEMBL7005671

CCC(=O)Nc1cccc2c1c(-c1ccccc1)nn2C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.51
PSMC4 P43686 1/20 0.46
SRC P12931 2/20 0.42
ABL1 P00519 1/20 0.42
IKBKB O14920 1/20 0.40
LMNA P02545 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 3/20 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
SCHEMBL7002603 0.89 VCP (0.49) VCPPSMC4SRCABL1LMNA
SCHEMBL6997961 0.87 VCP (0.48) VCPPSMC4SRCABL1LMNA
SCHEMBL7001373 0.86 VCP (0.47) VCPPSMC4SRCABL1LMNA
SCHEMBL7003186 0.85 KDM4E (0.48) VCPPSMC4SRCABL1LMNA
SCHEMBL6995074 0.84 VCP (0.46) VCPPSMC4SRCABL1ADORA2A
SCHEMBL7004924 0.83 VCP (0.44) VCPPSMC4LMNANPC1RAB9A
SCHEMBL6997527 0.82 SRC (0.46) VCPPSMC4SRCABL1LMNA
SCHEMBL6995378 0.81 ABCG2 (0.48) VCPPSMC4
SCHEMBL6999715 0.81 NR1H4 (0.49) VCPPSMC4LMNAALDH1A1NPC1
SCHEMBL7005722 0.81 KDM4E (0.48) VCPPSMC4LMNAADORA3ADORA2A

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 VCP 710/4885PSMC4 3179/4885SRC 1/4885

“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.