SCHEMBL3749005

SCHEMBL3749005

Cc1ccccc1-c1nc(-c2ccc(OCCN3CCCCC3)c(Cl)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
S1PR1 P21453 6/20 0.46
ACVRL1 P37023 2/20 0.45
ACVR1 Q04771 2/20 0.45
BMPR1B O00238 1/20 0.45
S1PR3 Q99500 1/20 0.44
MCHR1 Q99705 1/20 0.44
PTPN1 P18031 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
SCHEMBL3742473 0.91 KMO (0.51) TSHRSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL14175879 0.91 TDP1 (0.53) SMN1; SMN2MEN1KMT2ATDP1S1PR1
SCHEMBL13078653 0.85 NPC1 (0.55) TSHRSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL3734547 0.84 NPC1 (0.54) TSHRSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL3753897 0.83 NPC1 (0.53) TSHRSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL3740530 0.83 NPC1 (0.56) TSHRSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL3741094 0.82 NPC1 (0.52) TSHRSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL3746193 0.82 NPC1 (0.52) TSHRSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL3742038 0.82 NPC1 (0.52) TSHRSMN1; SMN2MEN1NPC1ALDH1A1
SCHEMBL3749554 0.82 NPC1 (0.52) TSHRSMN1; SMN2MEN1NPC1ALDH1A1

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 TSHR 1235/4885SMN1; SMN2 3564/4885MEN1 2929/4885

“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.