SCHEMBL22803296

SCHEMBL22803296

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(NCCO)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.56
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
BRAF P15056 1/20 0.51
KDR P35968 1/20 0.51
MAPK14 Q16539 1/20 0.51
TNNI3K Q59H18 1/20 0.51
NAMPT P43490 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MTOR P42345 3/20 0.47
CDK1 P06493 1/20 0.47
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL3601165 0.80 RAB9A (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27961408 0.78 HCAR3 (0.45) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL23258237 0.76 EPHX2 (0.49) EPHX2RAB9ABRAFKDRMAPK14
SCHEMBL28729179 0.75 EPHX2 (1.00) EPHX2RAB9ANPC1NAMPTMEN1
SCHEMBL11003408 0.75 EPHX2 (1.00) EPHX2RAB9ANPC1NAMPTMEN1
SCHEMBL20642067 0.74 FFAR1 (0.52) EPHX2RAB9ANPC1KDRNAMPT
SCHEMBL17604064 0.73 CDK1 (0.61) EPHX2RAB9ANPC1MEN1KMT2A
SCHEMBL5809373 0.72 EPHX2 (0.85) EPHX2RAB9ANPC1MEN1KMT2A
SCHEMBL4084235 0.72 MAPT (0.75) EPHX2RAB9ANPC1KDRMAPK14
SCHEMBL18049033 0.71 MAPT (0.57) EPHX2RAB9ANPC1KDRCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 EPHX2 2928/4885RAB9A 1457/4885NPC1 249/4885

“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.