SCHEMBL21454059

SCHEMBL21454059

O=S(=O)(c1ccc(N2c3ccccc3[Si]3(c4ccccc4N(c4ccccc4)c4ccccc43)c3ccccc32)cc1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.42
CYP2C9 P11712 2/20 0.40
NAPRT Q6XQN6 1/20 0.38
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
PKM P14618 1/20 0.36
TSHR P16473 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
SCHEMBL21453672 0.88 HTR6 (0.45) CYP2C9PKMTSHR
SCHEMBL21454056 0.82 NAMPT (0.42) NAMPTCYP2C9NAPRTABCC9ABCC8
SCHEMBL24260086 0.78 TSHR (0.40) PKMTSHR
SCHEMBL19846001 0.78 NAMPT (0.40) NAMPTCYP2C9NAPRTABCC9ABCC8
SCHEMBL10935860 0.76 HTR6 (0.61) NAMPTCYP2C9NAPRTABCC9ABCC8
SCHEMBL21453420 0.75 ALDH1A1 (0.49) NAMPTTSHR
SCHEMBL18194401 0.74 HTR6 (0.52) PKMTSHR
SCHEMBL17828451 0.74 HTR6 (0.52) PKMTSHR
SCHEMBL22279996 0.73 PKM (0.32) PKMTSHR
SCHEMBL20383147 0.72 ALDH1A1 (0.41)

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 NAMPT 3550/4885CYP2C9 729/4885NAPRT 3522/4885

“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.