SCHEMBL3619932

SCHEMBL3619932

O=C1CN(S(=O)(=O)c2c(C(=O)NCCO)[nH]c3ccc(Br)cc23)CCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.38
GLA P06280 1/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MET P08581 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
UBE2N P61088 1/20 0.35
KMT2A Q03164 1/20 0.35
TDO2 P48775 1/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRNP P04156 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL3607440 0.87 HSD17B10 (0.47) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL3609888 0.86 HSD17B10 (0.48) MAPTSMN1; SMN2LMNAPKMALDH1A1
SCHEMBL2929402 0.83 GFER (0.42) GFERGLAMAPTPKMALDH1A1
SCHEMBL3603693 0.77 LMNA (0.48) MAPTSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL2927335 0.75 GLA (0.53) GFERGLAMAPTSMN1; SMN2LMNA
SCHEMBL3612057 0.75 KDM4E (0.39) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL3616823 0.74 HTT (0.39) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL3607172 0.74 NAMPT (0.48) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL3608352 0.73 HTT (0.41) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL3609475 0.73 CYP1A2 (0.56) GLAMAPTSMN1; SMN2LMNAALDH1A1

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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US claimed
EP-1899340-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2007002368-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO 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 GFER 2595/4885GLA 1053/4885MAPT 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.