SCHEMBL6509633

SCHEMBL6509633

O=C1N=C(N2CCOCC2)SC1CC(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.39
POLB P06746 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6501483 0.83 TSHR (0.55) L3MBTL1MAPTLMNAALDH1A1CYP2C19
SCHEMBL1605486 0.74 ALDH1A1 (0.43) L3MBTL1MAPTALDH1A1NPSR1KMT2A
SCHEMBL6430640 0.74 ALDH1A1 (0.40) L3MBTL1MAPTLMNAALDH1A1HTT
SCHEMBL6429808 0.74 ALDH1A1 (0.43) L3MBTL1MAPTALDH1A1NPSR1KMT2A
SCHEMBL6429044 0.72 ALDH1A1 (0.39) L3MBTL1MAPTALDH1A1TSHRPOLB
SCHEMBL17319219 0.69 ALDH1A1 (0.59) L3MBTL1ALDH1A1CYP2C19HTTKMT2A
SCHEMBL14627991 0.69 MAPT (0.56) L3MBTL1MAPTLMNAALDH1A1NPSR1
SCHEMBL6503292 0.69 ALDH1A1 (0.35) L3MBTL1MAPTLMNAALDH1A1HTT
SCHEMBL6430684 0.69 ALDH1A1 (0.50) L3MBTL1MAPTLMNAALDH1A1CYP2C19
SCHEMBL6427337 0.69 ALDH1A1 (0.50) L3MBTL1MAPTLMNAALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
US-20050009834-A1 Azole compounds, process for preparation of the same and use thereof SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2005-01-13 US disclosed
EP-1386915-A1 AZOLE COMPOUNDS, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Sumitomo Chemical Takeda Agro Company, Limited (JP) 2004-02-04 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 (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-20050009834-A1 Azole compounds, process for preparation of the same and use thereof C1S, CYP4B1, CYP4X1 L3MBTL1 1027/4885MAPT 4519/4885LMNA 1559/4885
US-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 L3MBTL1 4470/4885MAPT 3607/4885LMNA 1964/4885

“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.