SCHEMBL3413592

SCHEMBL3413592

COc1c(Cl)cc(Cl)c2c1C(Nc1ccc3cc([N+](=O)[O-])ccc3n1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
CYP1A2 P05177 1/20 0.34
SLC6A4 P31645 1/20 0.34
THPO P40225 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33

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
SCHEMBL3409271 0.80 HTR1A (0.45) HTR1AMEN1KMT2AALDH1A1CYP3A4
SCHEMBL3429789 0.79 MAPT (0.39) ALDH1A1POLBMAPT
SCHEMBL3411133 0.78 HTR1A (0.49) HTR1AMEN1KMT2AALDH1A1CYP3A4
SCHEMBL3410007 0.77 HTR1A (0.44) HTR1AMEN1KMT2AALDH1A1CYP3A4
SCHEMBL3413243 0.77 NPY1R (0.36) ALDH1A1POLBMAPT
SCHEMBL3411420 0.74 SMN1; SMN2 (0.40) POLBMAPT
SCHEMBL4108967 0.71 MEN1 (0.43) HTR1AMEN1KMT2AALDH1A1CYP3A4
SCHEMBL3403294 0.71 MEN1 (0.43) HTR1AMEN1KMT2AALDH1A1CYP3A4
SCHEMBL3415182 0.69 HTR1A (0.47) HTR1AMEN1KMT2AALDH1A1POLB
SCHEMBL3401635 0.69 HDAC6 (0.37) HTR1AMEN1KMT2AALDH1A1CYP3A4

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A HTR1A 4/4885MEN1 1524/4885KMT2A 822/4885

“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.