SCHEMBL6999715

SCHEMBL6999715

CC(C)(C)c1ccc(C(=O)Nc2cccc3c2c(-c2ccccc2)nn3C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.49
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.47
PPARG P37231 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KCNK9 Q9NPC2 1/20 0.45
PABPC1 P11940 1/20 0.45
EIF4H Q15056 1/20 0.45
TRPV1 Q8NER1 3/20 0.44

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
SCHEMBL7003186 0.93 KDM4E (0.48) NR1H4RAB9AKDM4EPOLBNPC1
SCHEMBL7005722 0.91 KDM4E (0.48) RAB9AMEN1KMT2AKDM4EPOLB
SCHEMBL6995505 0.90 KDM4E (0.47) RAB9AMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL7004924 0.89 VCP (0.44) NR1H4RAB9AKDM4EPOLBSMN1; SMN2
SCHEMBL7003800 0.89 MAPT (0.45) NR1H4RAB9AMEN1KMT2AKDM4E
SCHEMBL6995378 0.87 ABCG2 (0.48) NR1H4TRPV1VCPPSMC4
SCHEMBL6997770 0.85 PTGDR2 (0.44) RAB9AMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL6997961 0.84 VCP (0.48) KDM4EPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL7001373 0.83 VCP (0.47) KDM4EPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL7005671 0.81 VCP (0.51) RAB9AKDM4ESMN1; SMN2NPC1ALDH1A1

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 NR1H4 2727/4885RAB9A 2158/4885MEN1 3818/4885

“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.