SCHEMBL9893714

SCHEMBL9893714

N#CC(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
RAPGEF3 O95398 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 3/20 0.41
SLC2A1 P11166 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL5667979 0.82 TSHR (0.57) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL10399614 0.78 SRD5A2 (0.53) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL3170407 0.78 CES2 (0.64) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL10884184 0.78 NPC1 (0.42) NPC1RAB9AS1PR1S1PR3MAPT
SCHEMBL3589190 0.77 MAOA (0.41) KCNQ3KCNQ2KCNE1KCNQ1RAPGEF3
SCHEMBL9693915 0.76 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL109599 0.76 TSHR (0.65) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL30308290 0.76 TSHR (0.65) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL20084007 0.76 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL193605 0.76 KCNQ3 (0.51) KCNQ3KCNQ2KCNE1KCNQ1NPC1

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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 KCNQ3 4148/4885KCNQ2 4222/4885KCNE1 3744/4885

“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.