SCHEMBL16989685

SCHEMBL16989685

CC(C)(C)N(C(=O)O)C1CCC(Nc2ccccc2O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.38
GAA P10253 5/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
BRD4 O60885 1/20 0.34
IDO1 P14902 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
CXCR2 P25025 2/20 0.33

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
SCHEMBL16989782 0.86 KDM4E (0.49) GAAMAPTBRD4KDM4EHDAC1
SCHEMBL16989781 0.86 KDM4E (0.49) GAAMAPTBRD4KDM4EHDAC1
SCHEMBL16989740 0.82 MAPK1 (0.49) GAANPC1ALDH1A1RAB9ANPSR1
SCHEMBL16989738 0.82 MAPK1 (0.49) GAANPC1ALDH1A1RAB9ANPSR1
SCHEMBL16989741 0.82 MAPK1 (0.49) GAANPC1ALDH1A1RAB9ANPSR1
SCHEMBL28306051 0.76 IDO1 (0.50) ULK1GAAHTTNPC1ALDH1A1
SCHEMBL16989777 0.74 ALOX15 (0.39) NPC1ALDH1A1RAB9ALMNANSD2
SCHEMBL16989779 0.74 ALOX15 (0.39) NPC1ALDH1A1RAB9ALMNANSD2
SCHEMBL15574631 0.74 NPC1 (0.44) ULK1GAAHTTNPC1ALDH1A1
SCHEMBL1700257 0.73 EPHX1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US 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-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 ULK1 237/4885GAA 249/4885HTT 3900/4885

“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.