SCHEMBL2245273

SCHEMBL2245273

Cc1ccc(CNc2ccc3c(NS(=O)(=O)N(C)C)cccc3n2)o1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPY5R Q15761 1/20 0.35
TRPC5 Q9UL62 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2907371 0.85 MAPT (0.45) NPC1RAB9ATSHRHTTLMNA
SCHEMBL2907292 0.84 NPC1 (0.42) NPC1RAB9ATSHRHTTLMNA
SCHEMBL2906805 0.84 NPC1 (0.46) NPC1RAB9ATSHRHTTLMNA
SCHEMBL2245184 0.84 NPC1 (0.39) BRD4NPC1RAB9ATSHRHTT
SCHEMBL2901726 0.82 MAPT (0.46) BRD4TSHRHTTSMN1; SMN2POLB
SCHEMBL2901736 0.81 L3MBTL1 (0.40) NPC1RAB9ATSHRHTTLMNA
SCHEMBL2904554 0.81 NPC1 (0.37) BRD4NPC1RAB9ATSHRHTT
SCHEMBL12356714 0.81 NCF1 (0.42) BRD4TSHRPOLB
SCHEMBL2904287 0.81 L3MBTL1 (0.48) BRD4NPC1RAB9ATSHRHTT
SCHEMBL13685486 0.80 BRD4 (0.41) BRD4HTTLMNASMN1; SMN2POLB

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
EP-2262774-B1 2-aminoquinolines as 5-HT5A receptor antagonists, their manufacture and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 2012-11-14 EP claimed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US claimed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 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-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E BRD4 2290/4885NPC1 1213/4885RAB9A 152/4885

“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.