SCHEMBL6364878

SCHEMBL6364878

O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(-c3ccco3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
SLC6A4 P31645 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
LMNA P02545 1/20 0.52
PMP22 Q01453 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CHEK1 O14757 1/20 0.47
LIMK1 P53667 1/20 0.47
CDK5 Q00535 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
KCNH2 Q12809 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
SCHEMBL6365675 0.86 CHEK1 (0.43) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL6365240 0.78 ALDH1A1 (0.66) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL6365676 0.78 ALDH1A1 (0.66) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL6364738 0.78 ALDH1A1 (0.66) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6372638 0.77 ALDH1A1 (0.65) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL6365141 0.76 ALDH1A1 (0.63) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
6-Nitroquipazine SCHEMBL401156 0.73 ALDH1A1 (1.00) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL13666128 0.71 ALDH1A1 (0.69) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL4658305 0.70 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL31060742 0.69 ALDH1A1 (0.90) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4

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-20050165006-A1 Quinoline derivatives, their preparation and pharmaceutical compositions comprising the same HYUNDAI PHARM. IND. CO., LTD. (KR) 2005-07-28 US claimed
WO-2003082286-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHEMON INC. (KR) 2003-10-09 WO claimed
US-20050165006-A1 Quinoline derivatives, their preparation and pharmaceutical compositions comprising the same HYUNDAI PHARM. IND. CO., LTD. (KR) 2005-07-28 US disclosed
WO-2003082286-A1 QUINOLINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHEMON INC. (KR) 2003-10-09 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-20050165006-A1 Quinoline derivatives, their preparation and pharmaceutical compositions comprising the same SLC18A2, SLC6A4, SLC6A2 ALDH1A1 3497/4885HTR3E 49/4885HTR3B 7/4885

“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.