SCHEMBL3409271

SCHEMBL3409271

COc1ccc(C)c2c1C(Nc1ccc3cc([N+](=O)[O-])ccc3n1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TTR P02766 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 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
SCHEMBL3411133 0.85 HTR1A (0.49) HTR1ACYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3410007 0.84 HTR1A (0.44) HTR1ACYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4098792 0.83 HTR1A (0.40) HTR1ALMNAMAPTTTRTDP1
SCHEMBL3413592 0.80 HTR1A (0.41) HTR1ACYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3432589 0.78 MAPT (0.38) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL3415182 0.77 HTR1A (0.47) HTR1AKMT2AMEN1ALDH1A1LMNA
SCHEMBL3415253 0.77 NPY1R (0.36) MAPT
SCHEMBL3412501 0.74 SMN1; SMN2 (0.46) KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL4108967 0.72 MEN1 (0.43) HTR1ACYP3A4CYP2C19KMT2AMEN1
SCHEMBL3403294 0.72 MEN1 (0.43) HTR1ACYP3A4CYP2C19KMT2AMEN1

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 4/4885CYP3A4 376/4885CYP2C9 458/4885

“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.