SCHEMBL2882522

SCHEMBL2882522

C(=C1CNCS1)c1ccc2ncn(Cc3ccoc3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
BRD4 O60885 8/20 0.32
EP300 Q09472 1/20 0.32
CREBBP Q92793 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
QPCT Q16769 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TNF P01375 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL27702473 0.79 QPCT (0.32) CYP11B1CYP11B2BRD4EP300CREBBP
SCHEMBL2880080 0.78 PIK3CG (0.48) HTT
SCHEMBL2880079 0.78 PIK3CG (0.48) HTT
SCHEMBL2881408 0.77 FLT3 (0.43) CYP11B1CYP11B2LMNAHTTALDH1A1
SCHEMBL2882458 0.75 HTT (0.41) BRD4LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL2880358 0.68 HPGD (0.32)
SCHEMBL2882131 0.61 MTOR (0.47) HTT
SCHEMBL2882136 0.61 MTOR (0.47) HTT
SCHEMBL2881861 0.59 PIM1 (0.57) QPCT
SCHEMBL2881863 0.59 PIM1 (0.57) QPCT

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-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 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-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B CYP11B1 734/4885CYP11B2 1311/4885BRD4 912/4885

“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.