SCHEMBL1616149

SCHEMBL1616149

Fc1ccc(COc2cccc3nc(Cl)ccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
STAT3 P40763 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
NCF1 P14598 9/20 0.44
CYBB P04839 4/20 0.43
NOX5 Q96PH1 1/20 0.43
PTGER1 P34995 3/20 0.42
MAPK14 Q16539 1/20 0.41
DCPS Q96C86 2/20 0.41
F2 P00734 1/20 0.40
DHFR P00374 1/20 0.40

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
SCHEMBL2905129 0.90 DCPS (0.50) MAPTSTAT3HTTSMN1; SMN2NCF1
SCHEMBL26731827 0.78 HTT (0.44) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL1616630 0.78 SCN9A (0.43) MEN1KMT2ALMNAMAPTHTT
SCHEMBL13040594 0.77 NCF1 (0.50) NCF1CYBBNOX5
SCHEMBL19690948 0.74 SETDB1 (0.60) MAPTNCF1CYBBNOX5
SCHEMBL2242312 0.74 NCF1 (0.56) NCF1CYBBNOX5
SCHEMBL19690971 0.74 CYP3A4 (0.47) MAPTNCF1CYBBNOX5
SCHEMBL26731828 0.73 HTT (0.45) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL26607243 0.73 SMN1; SMN2 (0.51) NPC1RAB9ALMNAMAPTSTAT3
SCHEMBL2242668 0.72 GRM5 (0.54) NPC1LMNAPOLBMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 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 (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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C MEN1 3139/4885KMT2A 1379/4885NPC1 2254/4885
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 MEN1 645/4885KMT2A 335/4885NPC1 1573/4885

“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.