SCHEMBL5449574

SCHEMBL5449574

CCCCN(CCCC)C(=S)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.68
ERBB2 P04626 3/20 0.67
MAPT P10636 2/20 0.58
HTT P42858 1/20 0.58
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.54
CYP3A4 P08684 1/20 0.53
LMNA P02545 3/20 0.51
KMT2A Q03164 1/20 0.50
ALOX12 P18054 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL17956765 0.93 EGFR (0.61) EGFRERBB2MAPTHTTCYP1A2
SCHEMBL5455537 0.91 ALDH1A1 (0.69) EGFRERBB2MAPTHTTALDH1A1
SCHEMBL5464300 0.89 ALDH1A1 (0.66) EGFRERBB2MAPTCYP1A2ALDH1A1
SCHEMBL8829693 0.87 EGFR (0.58) EGFRERBB2MAPTHTTCYP1A2
SCHEMBL5444750 0.83 MAPK1 (0.67) MAPTCYP1A2ALDH1A1MAPK1LMNA
SCHEMBL2448810 0.81 HDAC6 (0.65) EGFRHTTALDH1A1KMT2A
SCHEMBL5458207 0.79 LMNA (0.65) EGFRERBB2CYP1A2ALDH1A1MAPK1
SCHEMBL11865208 0.79 CYP1A2 (0.64) EGFRERBB2MAPTCYP1A2ALDH1A1
SCHEMBL25272620 0.78 HDAC6 (0.62) EGFRMAPTALDH1A1LMNAKMT2A
SCHEMBL14228915 0.78 HDAC6 (0.62) EGFRHTTALDH1A1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10767112-B2 Methods of producing metal sulfides, metal selenides, and metal sulfides/selenides having controlled architectures using kinetic control THE TRUSTEES OF THE COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-08 US disclosed
US-10253256-B2 Use of sulfur and selenium compounds as precursors to nanostructured materials THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-09 US disclosed
CN-106103348-B The purposes of sulphur compound and selenium compound as the precursor of nano structural material 哥伦比亚大学(纽约)理事会 2018-07-31 CN disclosed
US-20170369779-A1 METHODS OF PRODUCING METAL SULFIDES, METAL SELENIDES, AND METAL SULFIDES/SELENIDES HAVING CONTROLLED ARCHITECTURES USING KINETIC CONTROL THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-12-28 US disclosed
CN-106103348-A Sulphur compound and selenium compound are as the purposes of the precursor of nano structural material 哥伦比亚大学(纽约)理事会 2016-11-09 CN disclosed
US-20160237345-A1 USE OF SULFUR AND SELENIUM COMPOUNDS AS PRECURSORS TO NANOSTRUCTURED MATERIALS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-18 US disclosed
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed
US-4199413-A TIN SALT LAYER GIVES HIGH DENSITY IMAGES MITA INDUSTRIAL COMPANY LIMITED (JP) 1980-04-22 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-10253256-B2 Use of sulfur and selenium compounds as precursors to nanostructured materials SCLY, TST, SOD1 EGFR 4362/4885ERBB2 4533/4885MAPT 601/4885

“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.