SCHEMBL4288225

SCHEMBL4288225

Cn1cnnc1SCC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD11B1 P28845 1/20 0.41
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 8/20 0.38
CRBN Q96SW2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
Hydrochloric Acid SCHEMBL4282526 0.99 KMT2A (0.45) KMT2ATSHRMAPK1HSD11B1POLB
SCHEMBL4296626 0.79 KMT2A (0.46) KMT2ATSHRMAPK1HSD11B1POLB
Hydrochloric Acid SCHEMBL4285632 0.74 GAA (0.43) KMT2AHSD11B1L3MBTL1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4287846 0.74 SMN1; SMN2 (0.44) KMT2APOLBSMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL4284863 0.72 GAA (0.40) KMT2AMAPK1POLBSMN1; SMN2ALDH1A1
SCHEMBL4284650 0.71 CA1 (0.32)
SCHEMBL4290450 0.70 POLB (0.40) KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL4289003 0.70 HTR1A (0.43) SMN1; SMN2ALDH1A1GAALMNAMAPT
Hydrochloric Acid SCHEMBL4291831 0.70 POLB (0.41) KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL4285577 0.69 CA1 (0.35) KMT2AL3MBTL1SMN1; SMN2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMT2A 1049/4885TSHR 3226/4885MAPK1 422/4885

“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.