SCHEMBL6995378

SCHEMBL6995378

CCCc1ccc(C(=O)Nc2cccc3c2c(-c2ccccc2)nn3C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.48
ABCB1 P08183 2/20 0.48
PLK1 P53350 5/20 0.43
PLK3 Q9H4B4 5/20 0.43
VCP P55072 2/20 0.43
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ITK Q08881 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
PSMC4 P43686 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
SCHEMBL7004924 0.92 VCP (0.44) ABCG2ABCB1VCPITKNR1H4
SCHEMBL7003186 0.89 KDM4E (0.48) ABCG2ABCB1VCPNR1H4PSMC4
SCHEMBL6999715 0.87 NR1H4 (0.49) VCPNR1H4TRPV1PSMC4
SCHEMBL7005722 0.87 KDM4E (0.48) VCPPSMC4
SCHEMBL6995505 0.86 KDM4E (0.47) VCPPSMC4
SCHEMBL7003800 0.84 MAPT (0.45) ABCG2ABCB1VCPNR1H4TRPV1
SCHEMBL6997770 0.81 PTGDR2 (0.44) VCPPSMC4
SCHEMBL7005671 0.81 VCP (0.51) VCPPSMC4
SCHEMBL6997961 0.80 VCP (0.48) VCPPSMC4
SCHEMBL7001373 0.79 VCP (0.47) VCPPSMC4

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 ABCG2 144/4885ABCB1 1806/4885PLK1 165/4885

“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.