SCHEMBL3275993

SCHEMBL3275993

Nc1nc(N2CCCCC2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3425284 0.82 GAA (0.50) HSD17B10MAPK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3426540 0.80 HRH4 (0.49) KMT2AALOX15
SCHEMBL13285610 0.72 DPP4 (0.48) RAB9ANPC1L3MBTL1MAPK1USP2
SCHEMBL22229889 0.69 NPC1 (0.38) RAB9ANPC1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL11208162 0.69 SMN1; SMN2 (0.71) RAB9ANPC1L3MBTL1HSD17B10MAPK1
SCHEMBL5033361 0.69 ALDH1A1 (0.54) RAB9ANPC1L3MBTL1MAPK1USP2
SCHEMBL4445737 0.69 ALDH1A1 (0.54) RAB9ANPC1L3MBTL1MAPK1USP2
SCHEMBL10494023 0.69 SMN1; SMN2 (0.58) RAB9ANPC1L3MBTL1MAPK1USP2
SCHEMBL8608360 0.67 ALDH1A1 (0.53) RAB9ANPC1L3MBTL1HSD17B10MAPK1
SCHEMBL9730702 0.66 SMN1; SMN2 (0.68) RAB9ANPC1L3MBTL1HSD17B10MAPK1

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 9 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
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP disclosed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 EP disclosed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US 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 (3 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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B RAB9A 177/4885NPC1 2445/4885L3MBTL1 2760/4885
US-20090088451-A1 QUINOLINES HTR5A, HTR1A, HTR1E RAB9A 873/4885NPC1 2108/4885L3MBTL1 3324/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E RAB9A 873/4885NPC1 2108/4885L3MBTL1 3324/4885

“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.