SCHEMBL3411331

SCHEMBL3411331

O=[N+]([O-])c1ccc2nc(NC3COc4cc(F)ccc43)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
FSCN1 Q16658 1/20 0.36
TLR2 O60603 1/20 0.35
TLR1 Q15399 1/20 0.35

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
SCHEMBL3413339 0.87 HTR1A (0.40) HTR1AMEN1KMT2AMAPTHTR3E
SCHEMBL3415182 0.81 HTR1A (0.47) HTR1AMEN1KMT2AMAPTALDH1A1
SCHEMBL3401635 0.80 HDAC6 (0.37) HTR1AIRAK4MEN1KMT2AMAPT
SCHEMBL3412442 0.77 HTR1A (0.42) HTR1AMEN1KMT2AMAPTALDH1A1
SCHEMBL3403294 0.72 MEN1 (0.43) HTR1AMEN1KMT2AHTR3EHTR3B
SCHEMBL4108967 0.72 MEN1 (0.43) HTR1AMEN1KMT2AHTR3EHTR3B
SCHEMBL4116723 0.71 POLB (0.44) MEN1KMT2AALDH1A1EGFR
SCHEMBL3411133 0.70 HTR1A (0.49) HTR1AMEN1KMT2AMAPTALDH1A1
SCHEMBL9760934 0.69 RIPK1 (0.60) MEN1KMT2AMAPTHTR3EHTR3B
SCHEMBL27198017 0.69 TERT (0.45) MEN1KMT2AMAPTALDH1A1SLC6A4

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 4/4885IRAK4 4264/4885MEN1 1524/4885

“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.