SCHEMBL2922658

SCHEMBL2922658

CCCC[Sn](CCCC)(CCCC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
HSD17B10 Q99714 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
ACHE P22303 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MGLL Q99685 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESPL1 Q14674 1/20 0.44
KCNH2 Q12809 1/20 0.44
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
ALOX12 P18054 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
RECQL P46063 1/20 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
SCHEMBL1983658 0.82 TSHR (0.32) MAPTLMNA
SCHEMBL2921060 0.82 TSHR (0.48) MAPTACHEALDH1A1LMNAHTT
SCHEMBL27088386 0.78 TSHR (0.52) MAPTHSD17B10HDAC3HDAC1HDAC2
Butane SCHEMBL28792796 0.77 HSD17B10 (0.64) MAPTHSD17B10ACHEALDH1A1LMNA
SCHEMBL6791112 0.77 POLB (0.37) MAPTHDAC3HDAC1HDAC2LMNA
SCHEMBL28262241 0.77 LMNA (0.37) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL15648671 0.76 BDKRB2 (0.36) MAPTHSD17B10ALDH1A1LMNAHTT
SCHEMBL15648819 0.76 BDKRB2 (0.36) MAPTHSD17B10ALDH1A1LMNAHTT
SCHEMBL4770531 0.76 PTGS2 (0.43) SMN1; SMN2
SCHEMBL4765265 0.76 ATM (0.41) ALDH1A1LMNASMN1; SMN2LOXL2RECQL

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9040601-A None JP 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-2009067604-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed
US-6307045-B1 REACTING AN ORGANOMETALLIC COMPOUND WITH A HALIDE ION UNDER LIGHT IRRADIATION CONDITIONS IN THE PRESENCE OF A SEMICONDUCTOR CATALYST WITH A PHOTOCATALYTIC ACTIVITY. SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-10-23 US disclosed
EP-1067103-A2 Process for producing halogenated benzene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed
US-5801168-A NMDA RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1998-09-01 US disclosed
EP-0702673-B1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5656626-A NERVOUS SYSTEM OR BRAIN DISORDERS; BENZ(B)AZEPINE ZENECA LIMITED (GB) 1997-08-12 US disclosed
JP-H0940601-A PRODUCTION OF OPTICALLY ACTIVE KETONE DERIVATIVE AND THE SAME NIPPON SODA CO LTD 1997-02-10 JP disclosed
EP-0702673-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1996-03-27 EP disclosed
US-5502048-A CNS, STROKES, HYPOGLYCEMIC AGENTS AND ANTIISCHEMIC AGENTS ZENECA LIMITED (GB) 1996-03-26 US disclosed
WO-1994029275-A1 BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1994-12-22 WO disclosed
JP-H00940601-A 0001-01-01 JP 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-20120207729-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A MAPT 4489/4885HSD17B10 1913/4885HDAC3 416/4885
US-20140275553-A1 SUBSTITUTED BENZOAZOLE PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE3B, PDE4B, PDE4A MAPT 4489/4885HSD17B10 1913/4885HDAC3 416/4885

“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.