SCHEMBL3081675

SCHEMBL3081675

N#Cc1c(F)ccnc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 3/20 0.37
EGLN2 Q96KS0 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KHK P50053 1/20 0.35
CYP11B2 P19099 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL1702773 0.78 LRRK2 (0.42) BCL6ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL6029056 0.78 SMN1; SMN2 (0.38) EGLN2ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL30072681 0.78 LRRK2 (0.42) BCL6ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL30073015 0.75 BCL6 (0.37) BCL6ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL28432011 0.75 EGLN2 (0.36) EGLN2ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL17212756 0.75 PRKACA (0.44) BCL6ALDH1A1KDM4EGAALMNA
SCHEMBL844956 0.75 BCL6 (0.37) BCL6ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL5802874 0.75 KCNMA1 (0.40) BCL6ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL677194 0.75 L3MBTL1 (0.45) BCL6ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL27810450 0.75 BCL6 (0.37) BCL6ALDH1A1KDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 US 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-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 BCL6 3308/4885EGLN2 2198/4885ALDH1A1 3278/4885

“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.