SCHEMBL2250707

SCHEMBL2250707

Cc1ccc(CNc2ccc3c(I)cccc3n2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
NPY5R Q15761 1/20 0.40
TRPC5 Q9UL62 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL2902474 0.85 NPC1 (0.47) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL2248304 0.85 NPC1 (0.47) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL2249125 0.84 NPC1 (0.46) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL2906805 0.84 NPC1 (0.46) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL27841273 0.84 NPC1 (0.46) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL2909843 0.84 NPC1 (0.46) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL2907999 0.84 NPC1 (0.46) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL2907933 0.83 NPC1 (0.44) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL2248465 0.81 NPC1 (0.44) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL2908631 0.81 NPC1 (0.47) NPC1RAB9ATSHRHTTSMN1; 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 13 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 disclosed
CN-101516852-B Quinoline derivatives with 5-ht-binding properties HOFFMANN LA ROCHE 2011-11-16 CN disclosed
US-7989628-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
CN-102015650-A 2-aminoquinoline derivatives as 5-HT(5A) receptor antagonists HOFFMANN LA ROCHE 2011-04-13 CN disclosed
EP-2262774-A2 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP 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
WO-2009109493-A2 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227628-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US disclosed
CN-101516852-A Quinoline derivatives with 5-HT-binding properties HOFFMANN LA ROCHE (CH) 2009-08-26 CN disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 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-20090227628-A1 2-AMINOQUINOLINES HTR5A, HTR1A, HTR1E NPC1 1213/4885RAB9A 152/4885TSHR 799/4885
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 NPC1 1573/4885RAB9A 1336/4885TSHR 2566/4885

“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.