SCHEMBL7001373

SCHEMBL7001373

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.47
PSMC4 P43686 1/20 0.47
POLB P06746 1/20 0.45
SRC P12931 2/20 0.43
ABL1 P00519 1/20 0.43
CETP P11597 1/20 0.42
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA1 P30542 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MITF O75030 1/20 0.40
HPGD P15428 1/20 0.40
KLF5 Q13887 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TOP2A P11388 1/20 0.40

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
SCHEMBL6997961 0.89 VCP (0.48) VCPPSMC4POLBSRCABL1
SCHEMBL7003186 0.87 KDM4E (0.48) VCPPSMC4POLBSRCABL1
SCHEMBL6995074 0.86 VCP (0.46) VCPPSMC4SRCABL1CETP
SCHEMBL7005671 0.86 VCP (0.51) VCPPSMC4SRCABL1KDM4E
SCHEMBL7002603 0.84 VCP (0.49) VCPPSMC4SRCABL1KDM4E
SCHEMBL6999715 0.83 NR1H4 (0.49) VCPPSMC4POLBKDM4ELMNA
SCHEMBL7005722 0.83 KDM4E (0.48) VCPPSMC4POLBKDM4ELMNA
SCHEMBL6995505 0.82 KDM4E (0.47) VCPPSMC4KDM4ELMNAHTT
SCHEMBL7835545 0.82 ALDH1A1 (0.47) VCPPSMC4CETPKDM4ETSHR
SCHEMBL7827356 0.81 ALDH1A1 (0.46) VCPPSMC4CETPKDM4ETSHR

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 3179/4885POLB 4117/4885

“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.