SCHEMBL6176833

SCHEMBL6176833

Nc1ccccc1Nc1ccc(CNC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.59
MAPK12 P53778 7/20 0.59
MAPK11 Q15759 7/20 0.59
MAPK14 Q16539 7/20 0.59
MAPT P10636 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
TP53 P04637 1/20 0.57
APP P05067 1/20 0.57
ALOX15 P16050 1/20 0.57
SNCA P37840 1/20 0.57
BLM P54132 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GAA P10253 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 2/20 0.56

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
SCHEMBL15675233 0.84 HDAC1 (0.56) KDM4EHPGDSMN1; SMN2HSD17B10CYP1A2
SCHEMBL7242333 0.84 CYP1A2 (0.53) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL5897805 0.82 HDAC1 (0.63) HPGDSMN1; SMN2ALDH1A1HDAC1HDAC3
SCHEMBL11403590 0.81 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7245624 0.80 CYP2C19 (0.45) MAPTTP53GAACYP1A2CYP2D6
SCHEMBL675168 0.79 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL29603842 0.79 HDAC1 (0.76) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL16238914 0.79 TSHR (0.47) MAPK14KDM4EHPGDTP53ALOX15
SCHEMBL186470 0.78 KDM4E (0.51) MAPK14KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL7242067 0.78 FFAR1 (0.54) KDM4EHPGDCYP1A2CYP2D6CYP2C9

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-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
US-20030149027-A1 1,5-benzodiazepine compounds, their production and use OI SATORU (JP) 2003-08-07 US disclosed
EP-1123928-A1 1,5-BENZODIAZEPINE COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND MEDICINE Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP 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-20030149027-A1 1,5-benzodiazepine compounds, their production and use GABRA1, GABRA5, CNR1 MAPK13 3192/4885MAPK12 3145/4885MAPK11 1732/4885

“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.