SCHEMBL3602176

SCHEMBL3602176

O=C(NCc1nccs1)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 4/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
NAMPT P43490 3/20 0.37
KCNK3 O14649 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 0.86 NPC1 (0.52) LMNAMEN1KMT2AMAPTTDP1
SCHEMBL3607172 0.84 NAMPT (0.48) LMNAMEN1KMT2AMAPTTDP1
SCHEMBL3617333 0.84 LMNA (0.43) LMNAMAPTTDP1ALDH1A1GAA
SCHEMBL3603163 0.84 LMNA (0.43) LMNAMEN1KMT2AMAPTTDP1
SCHEMBL3612885 0.83 LMNA (0.43) LMNAMEN1KMT2AMAPTTDP1
SCHEMBL3603153 0.83 LMNA (0.44) LMNAKMT2AMAPTTDP1ALDH1A1
SCHEMBL3620990 0.82 LMNA (0.43) LMNAMEN1KMT2AMAPTTDP1
SCHEMBL3612126 0.81 CNR1 (0.56) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL3607440 0.81 HSD17B10 (0.47) LMNAMEN1KMT2AMAPTTDP1
SCHEMBL3609838 0.80 SMN1; SMN2 (0.47) LMNAMEN1KMT2AMAPTTDP1

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 12 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-8487108-B2 Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
EP-1966139-B1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS INC (US) 2011-12-21 EP disclosed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US disclosed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US disclosed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US disclosed
US-20100048636-A1 Aspartic Protease Inhibitors VITAE PHARMACEUTICALS, INC. 2010-02-25 US disclosed
EP-1899340-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP disclosed
WO-2007002368-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO disclosed
WO-2007002368-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO 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 (2 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-20100048636-A1 Aspartic Protease Inhibitors DNPEP, PEPD, SERPINB1 LMNA 4613/4885MEN1 2467/4885KMT2A 2255/4885
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT LMNA 3908/4885MEN1 4344/4885KMT2A 1067/4885

“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.