SCHEMBL3597233

SCHEMBL3597233

COC(=O)CCN1C=NC(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 4/20 0.35
KAT2B Q92831 3/20 0.33
CASP3 P42574 1/20 0.32
BRD4 O60885 1/20 0.32
AMPD2 Q01433 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
AMPD1 P23109 1/20 0.31

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
SCHEMBL11609568 0.68 SMN1; SMN2 (0.41) SMN1; SMN2TSHRKAT2BHPGDHSD17B10
Hydrochloric Acid SCHEMBL10553606 0.68
SCHEMBL1174031 0.68 TSHR (0.48) SMN1; SMN2TSHRKAT2BBRD4KDM4E
SCHEMBL3593370 0.65 CYP19A1 (0.33)
SCHEMBL15781674 0.64 SMN1; SMN2 (0.50) SMN1; SMN2TSHRKAT2BBRD4HSD17B10
SCHEMBL20814097 0.62 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL8939849 0.61 SMN1; SMN2 (0.44) SMN1; SMN2TSHRKAT2BHSD17B10KDM4E
SCHEMBL3601322 0.61 BRD4 (0.37) BRD4
SCHEMBL11152896 0.61 SMN1; SMN2 (0.41) SMN1; SMN2TSHRKAT2BBRD4KDM4E
SCHEMBL1174392 0.61

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-7728028-B2 Substituted imidazoline compounds GRUENENTHAL GMBH (DE) 2010-06-01 US disclosed
US-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-02-19 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-20090048323-A1 SUBSTITUTED IMIDAZOLINE COMPOUNDS ITCH, OPRK1, ALDH1A1 SMN1; SMN2 965/4885TSHR 2305/4885KAT2B 984/4885

“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.