SCHEMBL6545922

SCHEMBL6545922

Nc1ccc(NC(=O)C(F)(F)F)c(C(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
PDK1 Q15118 3/20 0.46
PDK2 Q15119 3/20 0.46
PDK3 Q15120 3/20 0.46
PDK4 Q16654 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ABCC9 O60706 4/20 0.44
ABCC8 Q09428 4/20 0.44
KCNJ11 Q14654 4/20 0.44
KCNJ8 Q15842 4/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL4847991 0.83 MAPT (0.70) MAPTLMNAALDH1A1MAPK1HTT
SCHEMBL7752909 0.82 MAPT (0.68) MAPTCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL29118239 0.82 ALDH1A1 (0.58) MAPTPDK1PDK2PDK3PDK4
SCHEMBL6812211 0.81 CASP1 (0.57) MAPTCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL4842780 0.80 MAPT (0.45) MAPTPDK1PDK2PDK3PDK4
SCHEMBL7753930 0.80 MAPT (0.50) MAPTCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL31541226 0.79 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL6545840 0.79 AKR1C4 (0.52) MAPTLMNAALDH1A1MAPK1HTT
SCHEMBL6816538 0.78 MAPT (0.54) MAPTCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL6546897 0.77 MEN1 (0.52) ALDH1A1MAPK1

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
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP disclosed
US-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections JOMAA PHARMAKA GMBH (DE) 2003-02-20 US disclosed
EP-1257265-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS Jomaa Pharmaka GmbH (DE) 2002-11-20 EP disclosed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 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-20030036532-A1 Use of 2-phenylene diamine derivatives for the treatment of infections HRH2, ASPH, NQO2 MAPT 4832/4885PDK1 2729/4885PDK2 1901/4885

“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.