SCHEMBL3609838

SCHEMBL3609838

O=C(NCc1nc2cccnc2[nH]1)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 5/20 0.41
MAPT P10636 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
PTGS2 P35354 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NAMPT P43490 3/20 0.38
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 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
SCHEMBL3596925 0.84 NPC1 (0.52) SMN1; SMN2KMT2ALMNAMAPTTDP1
SCHEMBL3612126 0.83 CNR1 (0.56) SMN1; SMN2KMT2ALMNAMAPTCNR1
SCHEMBL3607172 0.81 NAMPT (0.48) SMN1; SMN2KMT2ALMNAMAPTTDP1
SCHEMBL3602176 0.80 LMNA (0.43) SMN1; SMN2KMT2ALMNAMAPTTDP1
SCHEMBL3611812 0.80 MAPT (0.41) SMN1; SMN2KMT2APOLBLMNAMAPT
SCHEMBL3603153 0.79 LMNA (0.44) SMN1; SMN2KMT2ALMNAMAPTTDP1
SCHEMBL3616491 0.79 POLB (0.44) SMN1; SMN2KMT2APOLBLMNAMAPT
SCHEMBL3603163 0.79 LMNA (0.43) SMN1; SMN2KMT2ALMNAMAPTTDP1
SCHEMBL3613862 0.78 LMNA (0.48) SMN1; SMN2KMT2ALMNAMAPTTDP1
SCHEMBL3612885 0.78 LMNA (0.43) SMN1; SMN2KMT2ALMNAMAPTTDP1

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 SMN1; SMN2 3405/4885KMT2A 1067/4885POLB 60/4885

“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.