SCHEMBL3268221

SCHEMBL3268221

C=CCNc1cc(NCc2ccc(C)o2)nc2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.48
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.35
NPY5R Q15761 1/20 0.35
CLK1 P49759 4/20 0.34
CLK2 P49760 3/20 0.34
CLK4 Q9HAZ1 3/20 0.34
DYRK1B Q9Y463 3/20 0.34

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
SCHEMBL9881013 0.81 ALDH1A1 (0.41) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL4105441 0.78 RAB9A (0.42) HRH4LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL3267862 0.76 NPSR1 (0.48) LMNASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL3273719 0.74 NTRK1 (0.41) SMN1; SMN2ALDH1A1MAPTNPSR1KMT2A
SCHEMBL3266976 0.73 NTRK1 (0.42) LMNASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL2251643 0.69 NPC1 (0.44) HRH4LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL2908345 0.68 RAB9A (0.46) HRH4LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL2908348 0.68 RAB9A (0.46) HRH4LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL2902008 0.67 LMNA (0.45) HRH4LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL3267063 0.66 NPC1 (0.43) HRH4LMNAHTTSMN1; SMN2NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 US disclosed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 EP disclosed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040290-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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 (2 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-20090088451-A1 QUINOLINES HTR5A, HTR1A, HTR1E HRH4 75/4885LMNA 3216/4885HTT 603/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E HRH4 75/4885LMNA 3216/4885HTT 603/4885

“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.