SCHEMBL21632007

SCHEMBL21632007

CC(C#N)(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNN4 O15554 4/20 0.41
HSD11B1 P28845 1/20 0.40
CTSL P07711 3/20 0.40
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
APP P05067 1/20 0.36
RORC P51449 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35

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
SCHEMBL27555113 0.85 RARB (0.46) SMN1; SMN2HTTMEN1NPC1MAPT
SCHEMBL9513525 0.82 MAPT (0.45) SMN1; SMN2MAPTMAPK1KMT2AKCNN4
SCHEMBL27561961 0.81 KMT2A (0.45) SMN1; SMN2HTTMEN1NPC1MAPT
SCHEMBL13101222 0.79 TDP1 (0.39) SMN1; SMN2MEN1NPC1MAPTMAPK1
SCHEMBL1421745 0.78 APP (0.49) SMN1; SMN2HTTMEN1NPC1MAPT
SCHEMBL17825606 0.77 MAPT (0.45) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL7056575 0.75 PLK4 (0.48) SMN1; SMN2HTTMEN1NPC1MAPT
SCHEMBL27609150 0.74 NPC1 (0.48) SMN1; SMN2HTTMEN1NPC1MAPT
SCHEMBL7694323 0.74 NPC1 (0.48) SMN1; SMN2HTTMEN1NPC1MAPT
SCHEMBL17765339 0.74 CTSL (0.40) SMN1; SMN2HTTMEN1NPC1MAPT

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-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 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 (2 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX SMN1; SMN2 1799/4885HTT 2899/4885MEN1 4338/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX SMN1; SMN2 1799/4885HTT 2899/4885MEN1 4338/4885

“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.