SCHEMBL457599

SCHEMBL457599

O=C1CC=Cc2cnc3ccc4ccccc4c3c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.37
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 1/20 0.34
CES1 P23141 2/20 0.34
PAX8 Q06710 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GPR3 P46089 1/20 0.33
MET P08581 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL7045291 0.80 TYMS (0.38) TYMSLMNANPC1MAPTRAB9A
SCHEMBL15994595 0.76 TDP1 (0.39) TYMSLMNARAB9ATDP1L3MBTL1
SCHEMBL8791995 0.75 CES1 (0.54) LMNAMAPTRAB9ASMN1; SMN2TDP1
SCHEMBL670008 0.72 KMT2A (0.35) LMNANPC1MAPTRAB9AMEN1
SCHEMBL29457692 0.71 ALDH1A1 (0.49) LMNATDP1L3MBTL1MEN1KMT2A
SCHEMBL28262113 0.69 KDM4E (0.39) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL378548 0.69 KDM4E (0.39) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL31684807 0.69 KDM4E (0.59) TYMSLMNANPC1MAPTRAB9A
SCHEMBL159416 0.69 KDM4E (0.59) TYMSLMNANPC1MAPTRAB9A
SCHEMBL1674893 0.68 TDP1 (0.43) MAPTTDP1L3MBTL1KMT2ACYP3A4

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
US-10987317-B2 Inhibition of glutaminase C CORNELL UNIVERSITY (US) 2021-04-27 US disclosed
US-20200206149-A1 INHIBITION OF GLUTAMINASE C UNIV CORNELL (US) 2020-07-02 US disclosed
US-20130252983-A1 ACTIVATING PHOSPHORYLATION SITE ON GLUTAMINASE C CORNELL UNIVERSITY (US) 2013-09-26 US disclosed
US-20120220610-A1 INHIBITIONS OF GLUTAMINASE C CORNELL UNIVERSITY (US) 2012-08-30 US disclosed
WO-2012034123-A1 ACTIVATING PHOSPHORYLATION SITE ON GLUTAMINASE C CORNELL UNIVERSITY (US) 2012-03-15 WO disclosed
WO-2010111504-A2 INHIBITION OF GLUTAMINASE C CORNELL UNIVERSITY (US) 2010-09-30 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 (4 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-20130252983-A1 ACTIVATING PHOSPHORYLATION SITE ON GLUTAMINASE C GLS, GLUL, GLS2 TYMS 1585/4885LMNA 3117/4885NPC1 4542/4885
US-20200206149-A1 INHIBITION OF GLUTAMINASE C GLS, GLS2, GLUL TYMS 1003/4885LMNA 4026/4885NPC1 4411/4885
US-20120220610-A1 INHIBITIONS OF GLUTAMINASE C GLS, GLS2, GLUL TYMS 826/4885LMNA 3975/4885NPC1 4432/4885
US-10987317-B2 Inhibition of glutaminase C GLS, GLS2, GLUL TYMS 1003/4885LMNA 4026/4885NPC1 4411/4885

“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.