SCHEMBL2921060

SCHEMBL2921060

CCCC[Sn](CCCC)(CCCC)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
LMNA P02545 3/20 0.48
ACHE P22303 1/20 0.46
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ESPL1 Q14674 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL2922658 0.82 MAPT (0.51) LMNAACHEALDH1A1SMN1; SMN2ESPL1
Dinitrophenylene SCHEMBL27897921 0.79 TSHR (0.71) TSHRLMNAACHEALDH1A1SMN1; SMN2
SCHEMBL27088386 0.78 TSHR (0.52) TSHRLMNAACHEALDH1A1SMN1; SMN2
SCHEMBL6791112 0.77 POLB (0.37) TSHRLMNAESPL1MEN1KMT2A
SCHEMBL2123106 0.76 CYP1A2 (0.52) TSHRLMNAACHEALDH1A1SMN1; SMN2
SCHEMBL5951552 0.74 TSHR (0.61) TSHRLMNAACHEALDH1A1SMN1; SMN2
SCHEMBL276811 0.73 LTA4H (0.38) TSHRSMN1; SMN2NPSR1TDP1MEN1
SCHEMBL1453524 0.73 ACHE (0.41) ACHEALDH1A1SMN1; SMN2NPSR1MEN1
SCHEMBL5953196 0.73 KMT2A (0.41) ALDH1A1KMT2AHPGD
SCHEMBL10787397 0.73 TSHR (0.48) TSHRLMNAACHEALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864173-B Process for converting substituted sodium arylsulfinates into aryltri-n-butyltin 天津师范大学 2020-07-21 CN disclosed
US-8883833-B2 Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-11-11 US disclosed
CN-101918380-B Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and cns disorders DECODE GENETICS EHF 2014-09-24 CN disclosed
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2014-09-18 US disclosed
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2012-08-16 US disclosed
CN-101918381-A Substituted benzoazole PDE4 inhibitors for treating pulmonary and cardiovascular disorders DECODE GENETICS EHF 2010-12-15 CN disclosed
CN-101918380-A Substituted benzoazole PDE4 inhibitors for treating inflammatory, cardiovascular and cns disorders DECODE GENETICS EHF 2010-12-15 CN disclosed
EP-2225216-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
EP-2225215-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS Decode Genetics EHF (IS) 2010-09-08 EP disclosed
WO-2009067618-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
WO-2009067604-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-21 US disclosed
US-20090130076-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-21 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 (4 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-20090130076-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A TSHR 3618/4885LMNA 2745/4885ACHE 746/4885
US-20090130077-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4B, PDE4A, PDE3B TSHR 3582/4885LMNA 3208/4885ACHE 204/4885
US-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A TSHR 3618/4885LMNA 2745/4885ACHE 746/4885
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A TSHR 3618/4885LMNA 2745/4885ACHE 746/4885

“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.