SCHEMBL3969950

SCHEMBL3969950

NCCc1ccc(-c2nccs2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.73
ADRB2 P07550 3/20 0.57
PDPK1 O15530 1/20 0.55
CARM1 Q86X55 1/20 0.45
PRMT1 Q99873 1/20 0.45
CYP2A6 P11509 2/20 0.44
MAOB P27338 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL28861493 0.88 LOXL2 (0.67) LOXL2ADRB2PDPK1CARM1PRMT1
SCHEMBL534382 0.85 LOXL2 (1.00) LOXL2ADRB2PDPK1CARM1PRMT1
Hydrochloric Acid SCHEMBL533729 0.83 LOXL2 (0.96) LOXL2ADRB2PDPK1CARM1PRMT1
SCHEMBL722198 0.82 PDPK1 (0.77) LOXL2ADRB2PDPK1CYP2A6HDAC3
SCHEMBL5216533 0.82 LOXL2 (0.58) LOXL2ADRB2PDPK1CARM1PRMT1
SCHEMBL3885226 0.80 LOXL2 (0.66) LOXL2ADRB2PDPK1CYP2A6HDAC3
SCHEMBL21791658 0.80 LOXL2 (0.71) LOXL2ADRB2PDPK1CARM1PRMT1
SCHEMBL468180 0.79 LOXL2 (0.59) LOXL2ADRB2PDPK1CYP2A6KDM4E
SCHEMBL6326389 0.77 LOXL2 (0.62) LOXL2ADRB2PDPK1CARM1PRMT1
SCHEMBL28230903 0.77 LOXL2 (0.57) LOXL2ADRB2PDPK1CYP2A6FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078721-B1 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2014-01-22 EP disclosed
US-20120041019-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-02-16 US disclosed
EP-2078721-A2 Thieno-pyrimidime compounds having fungicidal activity Dow AgroSciences LLC (US) 2009-07-15 EP disclosed
US-7531482-B2 Thieno-pyrimidine compounds having fungicidal activity DOW AGROSCIENCES LLC (US) 2009-05-12 US disclosed
EP-1937691-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2008-07-02 EP disclosed
US-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2007-04-26 US disclosed
WO-2007046809-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2007-04-26 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-20070093498-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS LOXL2 3502/4885ADRB2 3158/4885PDPK1 2035/4885
US-20120041019-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP LOXL2 2596/4885ADRB2 4834/4885PDPK1 1367/4885

“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.