SCHEMBL4861638

SCHEMBL4861638

C=C(O)Cc1nc(N)cs1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.35
GABRA5 P31644 1/20 0.35
GABRB2 P47870 1/20 0.35
CSNK2A1 P68400 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9203531 0.74 HSD17B10 (0.38) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL6233700 0.74
SCHEMBL10752310 0.71
SCHEMBL2259933 0.70
SCHEMBL13564666 0.69
Carbamic Acid SCHEMBL2360016 0.69 GABRA5 (0.34) ALDH1A1MEN1KMT2ALMNAHSD17B10
SCHEMBL11415710 0.69 L3MBTL1 (0.59) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11199790 0.68 MEN1 (0.49) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL8432354 0.67 HDAC1 (0.51) ALDH1A1KMT2ALMNAMAPTCSNK2A1
SCHEMBL11027267 0.62 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368464-B2 Preparation for the production of 1,2,4-triazolylmethyl-oxiranes BASF AKTIENGESELLSCHAFT (DE) 2008-05-06 US disclosed
US-20050176967-A1 Preparation for the production of 1,2,4-triazolymethyl-oxiranes BASF AKTIENGESELLSCHAFT (DE) 2005-08-11 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-20050176967-A1 Preparation for the production of 1,2,4-triazolymethyl-oxiranes AOC3, CBR3, AOC2 ALDH1A1 158/4885MEN1 3982/4885KMT2A 1547/4885

“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.