SCHEMBL3970177

SCHEMBL3970177

Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C(=O)OCCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
CACNB4 O00305 2/20 0.39
CACNA1A O00555 2/20 0.39
CACNA1G O43497 2/20 0.39
CACNG3 O60359 2/20 0.39
CACNA1F O60840 2/20 0.39
CACNA1H O95180 2/20 0.39
ACHE P22303 2/20 0.39
CACNB3 P54284 2/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNG7 P62955 2/20 0.39
CACNA1B Q00975 2/20 0.39
CACNA1D Q01668 2/20 0.39

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
SCHEMBL3964495 0.85 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL3965628 0.85 IDO1 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1SIRT2
SCHEMBL2823526 0.84 IDO1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2820857 0.84 IDO1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3965874 0.83 FABP3 (0.49) MEN1KMT2AALDH1A1L3MBTL1IDO1
SCHEMBL2821180 0.82 IDO1 (0.42) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3965677 0.81 HTT (0.45) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL13872382 0.80 FABP3 (0.45) MEN1KMT2ALMNAIDO1TDO2
SCHEMBL3961778 0.77 IDO1 (0.44) MEN1KMT2ALMNAALDH1A1IDO1
SCHEMBL2821876 0.76 FABP3 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
WO-2009041904-A1 QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR ASTRAZENECA AB (SE) 2009-04-02 WO disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 US disclosed
US-20090088441-A1 Quinoline Compounds ASTRAZENECA AB (SE) 2009-04-02 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-20090088441-A1 Quinoline Compounds GABRB1, HRH2, GABRA5 SMN1; SMN2 2040/4885MEN1 3506/4885KMT2A 3685/4885

“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.