SCHEMBL4235082

SCHEMBL4235082

CC(=NO)Nc1cnccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.42
NOTUM Q6P988 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4235081 1.00 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4230277 0.77 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4230279 0.77 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL13076635 0.76 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL15381202 0.76 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4237518 0.76 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL1618896 0.73 TSHR (0.43) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL1618897 0.73 TSHR (0.43) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL5381046 0.71 KDM4E (0.69) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL19308431 0.70 NOTUM (0.54) RAB9ANPC1SMN1; SMN2TP53MAPT

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-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
EP-1888530-A2 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2008-02-20 EP disclosed
WO-2006120478-A2 QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 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-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists TACR2, TACR3, NPY2R RAB9A 1762/4885NPC1 1070/4885SMN1; SMN2 4207/4885

“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.