SCHEMBL10071079

SCHEMBL10071079

Cc1ccc(C(NCCOCCNC(=O)NN)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
ACHE P22303 1/20 0.41
KIF11 P52732 5/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
FBP1 P09467 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL10071082 0.80 KIF11 (0.56) SMN1; SMN2HDAC3HDAC1KIF11ALDH1A1
SCHEMBL18475596 0.79 KIF11 (0.54) SMN1; SMN2HDAC3HDAC1KIF11ALDH1A1
SCHEMBL11990356 0.74 IDO1 (0.52) SMN1; SMN2KIF11LMNAKMT2AGAA
SCHEMBL29562983 0.73 KIF11 (0.47) SMN1; SMN2KIF11ALDH1A1LMNAHPGD
SCHEMBL20710206 0.72 KIF11 (0.53) SMN1; SMN2KIF11ALDH1A1LMNAPOLB
SCHEMBL7268289 0.71 KIF11 (0.67) SMN1; SMN2KIF11ALDH1A1HPGDCYP1A2
SCHEMBL14078204 0.71 KIF11 (0.79) KIF11LMNACYP3A4CYP2C9CYP2C19
SCHEMBL17980744 0.71 KIF11 (0.52) SMN1; SMN2KIF11ALDH1A1LMNAHPGD
SCHEMBL10065919 0.70 KIF11 (0.55) SMN1; SMN2KIF11ALDH1A1LMNAKMT2A
SCHEMBL29601869 0.70 KIF11 (0.45) HDAC3HDAC1KIF11ALDH1A1LMNA

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-20120045393-A1 LHRH-II PEPTIDE ANALOGS BRACCO IMAGING SPA (IT) 2012-02-23 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-20120045393-A1 LHRH-II PEPTIDE ANALOGS LHCGR, GNRHR, FSHR SMN1; SMN2 3010/4885HDAC3 1327/4885HDAC1 1265/4885

“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.