SCHEMBL3752568

SCHEMBL3752568

CCn1c(C(=O)OC)cc2nc(OC)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
MAPT P10636 5/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
PTGER4 P35408 4/20 0.44
NLRP3 Q96P20 1/20 0.42
KMT2A Q03164 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL3760444 0.86 GPR35 (0.47) KDM4EMAPTRAB9ANPC1ALDH1A1
Lithium Ion SCHEMBL3760441 0.85 KDM4E (0.45) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1731129 0.71 KDM4E (1.00) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL24688398 0.70 KDM4E (0.74) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL18969539 0.69 KDM4E (0.42) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL19332364 0.69 KRAS (0.55) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL9974597 0.68 KMT2A (0.43) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL28009023 0.68 GPR35 (0.50) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL29850857 0.68 KDM4E (0.40) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL2951350 0.68 KDM4E (0.81) KDM4EMAPTRAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR KDM4E 718/4885MAPT 1172/4885RAB9A 804/4885

“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.