SCHEMBL3607440

SCHEMBL3607440

O=C(NCCO)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
LMNA P02545 5/20 0.44
MAPT P10636 7/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
CASP1 P29466 1/20 0.40
ALDH1A1 P00352 6/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
UBE2N P61088 1/20 0.40
BACE1 P56817 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
PRNP P04156 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL3609888 0.99 HSD17B10 (0.48) HSD17B10LMNAMAPTTDP1SMN1; SMN2
SCHEMBL3603693 0.89 LMNA (0.48) HSD17B10LMNAMAPTTDP1SMN1; SMN2
SCHEMBL3619932 0.87 GFER (0.38) HSD17B10LMNAMAPTTDP1SMN1; SMN2
SCHEMBL3619238 0.83 CYP3A4 (0.49) LMNAMAPTTDP1KMT2AMEN1
SCHEMBL3607172 0.83 NAMPT (0.48) LMNAMAPTTDP1SMN1; SMN2TP53
SCHEMBL3613862 0.82 LMNA (0.48) LMNAMAPTTDP1SMN1; SMN2L3MBTL1
SCHEMBL3612857 0.82 LMNA (0.42) LMNAMAPTTDP1SMN1; SMN2TP53
SCHEMBL3476668 0.82 RXFP1 (0.49) HSD17B10LMNAMAPTTDP1ALDH1A1
SCHEMBL3609475 0.82 CYP1A2 (0.56) HSD17B10LMNAMAPTTDP1SMN1; SMN2
SCHEMBL3605877 0.82 ALDH1A1 (0.49) LMNAMAPTTDP1SMN1; SMN2TP53

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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US claimed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT HSD17B10 1472/4885LMNA 3908/4885MAPT 716/4885

“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.