SCHEMBL3742473

SCHEMBL3742473

Cc1ccccc1-c1nc(-c2ccc(OCCN3CCOCC3)c(Cl)c2)no1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.51
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL3749005 0.91 TSHR (0.49) NPC1ALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL13078653 0.84 NPC1 (0.55) NPC1ALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL3734547 0.83 NPC1 (0.54) NPC1ALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL14175879 0.82 TDP1 (0.53) SMN1; SMN2MEN1KMT2APTPN1KDM4E
SCHEMBL3753897 0.82 NPC1 (0.53) NPC1ALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL3740530 0.82 NPC1 (0.56) NPC1ALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL3741094 0.81 NPC1 (0.52) NPC1ALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL3742038 0.81 NPC1 (0.52) NPC1ALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL7947674 0.81 SMN1; SMN2 (0.53) NPC1ALDH1A1SMN1; SMN2MEN1TP53
SCHEMBL3746193 0.81 NPC1 (0.52) NPC1ALDH1A1SMN1; SMN2TSHRMEN1

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-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US claimed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 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 (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-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 KMO 2326/4885NPC1 1268/4885ALDH1A1 4044/4885

“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.