SCHEMBL6470924

SCHEMBL6470924

CCCCNC(=O)c1cc[nH]c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
NAAA Q02083 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
MLYCD O95822 1/20 0.47
HPGD P15428 2/20 0.46
CA2 P00918 1/20 0.46
THRB P10828 2/20 0.45
GAA P10253 1/20 0.45
NAMPT P43490 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
THRA P10827 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
SCHEMBL29038552 0.94 NAAA (0.62) SMN1; SMN2HTTNAAAL3MBTL1MLYCD
SCHEMBL29038569 0.94 NAAA (0.62) SMN1; SMN2HTTNAAAL3MBTL1MLYCD
SCHEMBL1609642 0.82 ACACB (0.41) HPGD
SCHEMBL30454175 0.82 KDM4E (0.40) SMN1; SMN2TSHRHTTNAAAL3MBTL1
SCHEMBL31672535 0.81 MAPT (0.49) SMN1; SMN2TSHRHTTL3MBTL1THRB
SCHEMBL1074260 0.81 HPGD (0.49) HTTL3MBTL1HPGDCA2THRB
SCHEMBL29038548 0.80 NPC1 (0.43) SMN1; SMN2HTTNAAAL3MBTL1THRB
SCHEMBL28326194 0.80 L3MBTL1 (0.73) SMN1; SMN2TSHRHTTNAAAL3MBTL1
SCHEMBL1550029 0.80 BLM (0.62) SMN1; SMN2TSHRL3MBTL1HPGDTHRB
SCHEMBL30453627 0.79 MEN1 (0.57) TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP claimed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO claimed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 SMN1; SMN2 3120/4885TSHR 1567/4885HTT 868/4885

“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.