SCHEMBL3608352

SCHEMBL3608352

O=C(NCCO)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 6/20 0.39
LMNA P02545 5/20 0.39
CASP1 P29466 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA3 P07451 3/20 0.38
CA6 P23280 3/20 0.38
CA5A P35218 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA13 Q8N1Q1 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
CA4 P22748 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL3616823 0.99 HTT (0.39) HTTMAPK1TDP1MAPTTP53
SCHEMBL3612057 0.95 KDM4E (0.39) MAPK1MAPTTP53LMNACASP1
SCHEMBL3602148 0.83 HTT (0.46) HTTMAPK1TDP1MAPTTP53
SCHEMBL3609243 0.82 HTT (0.44) HTTMAPK1TDP1MAPTTP53
SCHEMBL3615257 0.81 KMT2A (0.48) HTTMAPK1TDP1MAPTTP53
SCHEMBL3616584 0.80 TDP1 (0.42) HTTMAPK1TDP1MAPTTP53
SCHEMBL3609888 0.80 HSD17B10 (0.48) TDP1MAPTTP53LMNACASP1
SCHEMBL3605244 0.79 ALDH1A1 (0.49) HTTTDP1MAPTTP53LMNA
SCHEMBL3607440 0.79 HSD17B10 (0.47) TDP1MAPTTP53LMNACASP1
SCHEMBL2348809 0.78 BRAF (0.46) HTTMAPK1TDP1MAPTTP53

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 16 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
CN-101884898-B Substrate for biochip and method for manufacturing substrate for biochip YAMATAKE CORP 2013-05-01 CN disclosed
CN-101884899-B Substrate for biochip and manufacturing method of the same YAMATAKE CORP 2013-04-03 CN disclosed
US-8287939-B2 Method for manufacturing substrate for biochip AZBIL CORPORATION (JP) 2012-10-16 US disclosed
CN-101001692-B Biochip substrate and method of manufacturing biochip substrate YAMATAKE CO LTD 2011-05-11 CN disclosed
US-20100288727-A1 METHOD FOR MANUFACTURING SUBSTRATE FOR BIOCHIP YAMATAKE CORPORATION (JP) 2010-11-18 US disclosed
CN-101884899-A The method of biochip substrate and the substrate of manufacturing biochip YAMATAKE CORP 2010-11-17 CN disclosed
CN-101884898-A The method of biochip substrate and the substrate of manufacturing biochip YAMATAKE CORP 2010-11-17 CN disclosed
US-7807105-B2 Substrate for biochip YAMATAKE CORPORATION (JP) 2010-10-05 US disclosed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US disclosed
US-20080253928-A1 Substrate surface capable of reacting with biological substances and having a region not reacting with the biological substances;sunken bottomed wells formed in the surface; and a layer capable of reacting with the biological substances having a surface exposed only at the bottoms of the bottomed wells YAMATAKE CORPORATION (JP) 2008-10-16 US disclosed
CN-101001692-A Biochip substrate and method of manufacturing biochip substrate YAMATAKE CORP (JP) 2007-07-18 CN disclosed
WO-2006006262-A1 SUBSTRATE FOR BIOCHIP AND METHOD FOR MANUFACTURING SUBSTRATE FOR BIOCHIP YAMATAKE CORPORATION (JP) 2006-01-19 WO disclosed
EP-1614460-A1 Substrate for biochips Yamatake Corporation (JP) 2006-01-11 EP 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 HTT 2637/4885MAPK1 3023/4885TDP1 90/4885

“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.