SCHEMBL2069741

SCHEMBL2069741

Nc1ccc(NC(=O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PDK1 Q15118 14/20 0.51
PDK2 Q15119 14/20 0.51
PDK3 Q15120 14/20 0.51
PDK4 Q16654 14/20 0.51
GFER P55789 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.43

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
SCHEMBL28091743 0.84 PDK1 (0.69) MAPTNPSR1PDK1PDK2PDK3
SCHEMBL6348339 0.83 PDK1 (0.76) PDK1PDK2PDK3PDK4
SCHEMBL6348342 0.83 PDK1 (0.76) PDK1PDK2PDK3PDK4
SCHEMBL3850312 0.83 CA1 (0.42) MEN1KMT2AMAPTHSD17B10PDK1
SCHEMBL8116203 0.83 KMT2A (0.56) KMT2ANPSR1PDK1PDK2PDK3
SCHEMBL618106 0.83 PDK1 (0.70) MEN1KMT2AHSD17B10PDK1PDK2
SCHEMBL6349847 0.81 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL7880575 0.81 PDK1 (0.68) MEN1KMT2APDK1PDK2PDK3
SCHEMBL15072455 0.81 MAPK1 (0.55) MEN1KMT2AMAPTSMN1; SMN2PDK1
SCHEMBL6816450 0.81 GAA (0.47) MEN1KMT2AMAPTSMN1; SMN2NPSR1

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
US-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US disclosed
US-20060183791-A1 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2006-08-17 US disclosed
CN-1761464-A Substituted p-diaminobenzene derivatives LUNDBECK & CO AS H (DK) 2006-04-19 CN disclosed
EP-1613303-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. Lundbeck A/S (DK) 2006-01-11 EP disclosed
WO-2004082677-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-30 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-20060183791-A1 Substituted p-diaminobenzene derivatives ABCB1, UGT2B7, CYP2D6 MEN1 1715/4885KMT2A 3706/4885MAPT 3488/4885

“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.