SCHEMBL1968304

SCHEMBL1968304

COC(=O)C(NCc1ccc2c(c1)OCO2)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
CYP3A4 P08684 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 4/20 0.51
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 2/20 0.48
PKM P14618 1/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL5580133 0.78 HSD17B10 (0.54) SMN1; SMN2CYP3A4MEN1KMT2AHSD17B10
SCHEMBL5580134 0.76 MEN1 (0.49) SMN1; SMN2MEN1KMT2AHSD17B10HPGD
SCHEMBL6386453 0.76 KMT2A (0.72) SMN1; SMN2MEN1KMT2ATSHRPKM
SCHEMBL16798976 0.73 HSD17B10 (0.59) SMN1; SMN2CYP3A4MEN1KMT2AHSD17B10
SCHEMBL16798977 0.73 HSD17B10 (0.59) SMN1; SMN2CYP3A4MEN1KMT2AHSD17B10
SCHEMBL4856839 0.73 ALDH1A1 (0.62) SMN1; SMN2CYP3A4MEN1KMT2AHSD17B10
SCHEMBL12825470 0.73 EDNRA (0.56) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL19326702 0.72 MEN1 (0.61) SMN1; SMN2CYP3A4MEN1KMT2AHSD17B10
SCHEMBL7118271 0.72 TAAR1 (0.58) SMN1; SMN2CYP3A4HSD17B10HPGDMAPT
SCHEMBL19326700 0.72 MEN1 (0.61) SMN1; SMN2CYP3A4MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168667-B2 Imidazolidine derivatives, uses therefor, preparation thereof and compositions comprising such GALAPAGOS NV (BE) 2012-05-01 US disclosed
EP-2026799-B1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2011-06-22 EP disclosed
US-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH DART THERAPUTICS, LLC. 2010-08-19 US disclosed
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such SASU, GALAPAGOS (FR) 2010-03-11 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 (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-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH NR5A1, AR, HSD17B7 SMN1; SMN2 4834/4885CYP3A4 84/4885MEN1 1102/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 SMN1; SMN2 4836/4885CYP3A4 83/4885MEN1 1118/4885

“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.