SCHEMBL5546633

SCHEMBL5546633

O=COCCCc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
NPC1 O15118 3/20 0.46
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CYP2C19 P33261 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL5538978 0.95 NPC1 (0.51) SMN1; SMN2TSHRALDH1A1POLBL3MBTL1
SCHEMBL5544323 0.93 NPC1 (0.50) SMN1; SMN2TSHRALDH1A1POLBL3MBTL1
SCHEMBL5544600 0.93 NPC1 (0.50) SMN1; SMN2TSHRALDH1A1POLBL3MBTL1
SCHEMBL5542310 0.89 TAAR1 (0.48) SMN1; SMN2TSHRALDH1A1POLBL3MBTL1
Ethoxycarbonyl Group SCHEMBL27956362 0.79 TAAR1 (0.43) SMN1; SMN2TSHRALDH1A1POLBL3MBTL1
SCHEMBL25306776 0.79 TAAR1 (0.59) SMN1; SMN2TSHRALDH1A1POLBL3MBTL1
SCHEMBL12299351 0.79 USP2 (0.52) SMN1; SMN2TSHRALDH1A1POLBTAAR1
SCHEMBL2813673 0.77
SCHEMBL144588 0.77 TAAR1 (0.57) SMN1; SMN2TSHRALDH1A1POLBL3MBTL1
SCHEMBL20135772 0.76 TAAR1 (0.73) SMN1; SMN2TSHRALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384079-B Chiral N-alkyl indole compound and preparation method and application thereof 云南大学 2024-05-24 CN claimed
CN-117384079-B Chiral N-alkyl indole compound and preparation method and application thereof 云南大学 2024-05-24 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 SMN1; SMN2 3985/4885TSHR 319/4885ALDH1A1 355/4885

“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.