SCHEMBL3931325

SCHEMBL3931325

COC(=O)C(Cl)=NNc1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.59
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CSNK2A1 P68400 2/20 0.40
GLA P06280 1/20 0.40
P2RX3 P56373 4/20 0.40
TP53 P04637 1/20 0.40
S1PR1 P21453 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL3931324 1.00 RORC (0.59) RORCPOLBSMN1; SMN2MAPTNPC1
SCHEMBL3931318 1.00 RORC (0.59) RORCPOLBSMN1; SMN2MAPTNPC1
SCHEMBL13902370 0.88 RORC (0.54) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL19086454 0.75 ALDH1A1 (0.53) POLBSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL17572363 0.75 ALDH1A1 (0.53) POLBSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL19086453 0.75 ALDH1A1 (0.53) POLBSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL9633488 0.74 CA1 (0.51) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL9633483 0.74 CA1 (0.51) POLBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL11804441 0.71 RORC (0.67) RORCPOLBSMN1; SMN2MAPTNPC1
SCHEMBL1015712 0.70 RORC (0.57) RORCSMN1; SMN2MAPTNPC1RAB9A

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 RORC 222/4885POLB 1544/4885SMN1; SMN2 3501/4885

“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.