SCHEMBL13902178

SCHEMBL13902178

Cc1ccccc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
NPY5R Q15761 6/20 0.66
ROCK1 Q13464 1/20 0.60
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.53
CCR1 P32246 1/20 0.53
POLB P06746 1/20 0.53
TP53 P04637 3/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL13902182 0.90 SMN1; SMN2 (0.68) SMN1; SMN2NPY5RROCK1KDM4EMAPT
SCHEMBL13902185 0.88 SMN1; SMN2 (0.69) SMN1; SMN2NPY5RROCK1KDM4EGAA
SCHEMBL8003176 0.83 SMN1; SMN2 (0.74) SMN1; SMN2NPY5RROCK1KDM4EMAPT
SCHEMBL13754395 0.81 SMN1; SMN2 (0.69) SMN1; SMN2NPY5RROCK1KDM4EMAPT
SCHEMBL4018661 0.81 POLB (0.70) SMN1; SMN2ROCK1KDM4EGAAMAPT
SCHEMBL17324760 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ROCK1KDM4EMAPTNPC1
SCHEMBL2079393 0.78 SMN1; SMN2 (0.62) SMN1; SMN2NPY5RROCK1KDM4EMAPT
SCHEMBL17321499 0.78 SMN1; SMN2 (0.63) SMN1; SMN2ROCK1KDM4EGAAMAPT
SCHEMBL13902183 0.76 JAK3 (0.71) SMN1; SMN2ROCK1KDM4EMAPTNPC1
SCHEMBL17311616 0.75 ROCK1 (1.00) SMN1; SMN2ROCK1KDM4EMAPTNPC1

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
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 SMN1; SMN2 3501/4885NPY5R 4771/4885ROCK1 398/4885

“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.