SCHEMBL4945563

SCHEMBL4945563

Cc1c(NC(=O)CC(C)(C)C)ccc(Cl)c1NCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
KCNQ3 O43525 4/20 0.49
KCNQ2 O43526 4/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SSTR3 P32745 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
MT-CO2 P00403 1/20 0.38
GAA P10253 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4941764 0.91 HPGD (0.52) HPGDKCNQ3KCNQ2KMT2AMEN1
SCHEMBL19700160 0.86 KCNQ3 (0.61) HPGDKCNQ3KCNQ2KMT2AMEN1
SCHEMBL4938487 0.81 HPGD (0.54) HPGDKCNQ3KCNQ2KMT2AMEN1
SCHEMBL4944587 0.81 HPGD (0.57) HPGDKCNQ3KCNQ2KMT2AMEN1
SCHEMBL21051221 0.80 HPGD (0.58) HPGDKCNQ3KCNQ2KMT2AMEN1
SCHEMBL4940632 0.80 HPGD (0.52) HPGDKCNQ3KCNQ2KMT2AMEN1
SCHEMBL4939480 0.80 HPGD (0.52) HPGDKCNQ3KCNQ2KMT2AMEN1
SCHEMBL4943406 0.80 HPGD (0.52) HPGDKCNQ3KCNQ2KMT2AMEN1
SCHEMBL19690597 0.77 HPGD (0.52) HPGDKCNQ3KCNQ2KMT2AMEN1
SCHEMBL19690300 0.75 KCNQ2 (0.81) HPGDKCNQ3KCNQ2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045534-A1 Derivatives of 1,3-diamino benzene as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-02-21 US claimed
US-20080045534-A1 Derivatives of 1,3-diamino benzene as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-02-21 US disclosed
US-20080045534-A1 Derivatives of 1,3-diamino benzene as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-02-21 US disclosed
US-20080045534-A1 Derivatives of 1,3-diamino benzene as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-02-21 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-20080045534-A1 Derivatives of 1,3-diamino benzene as potassium channel modulators KCNQ1, KCNQ2, KCNA1 HPGD 2327/4885KCNQ3 8/4885KCNQ2 2/4885

“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.