SCHEMBL5840903

SCHEMBL5840903

N#CCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.55
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 2/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
DRD3 P35462 1/20 0.51
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL10061543 0.98 TDP1 (0.58) TDP1L3MBTL1MAPTALDH1A1MAOB
SCHEMBL8688325 0.98 TDP1 (0.58) TDP1L3MBTL1MAPTALDH1A1MAOB
SCHEMBL29459491 0.95 MAPT (0.60) TDP1L3MBTL1MAPTALDH1A1RAB9A
SCHEMBL5889451 0.95 MAPT (0.60) TDP1L3MBTL1MAPTALDH1A1RAB9A
SCHEMBL25030174 0.89 MAPT (0.50) TDP1L3MBTL1MAPTALDH1A1RAB9A
SCHEMBL30233911 0.89 MAPT (0.50) TDP1L3MBTL1MAPTALDH1A1RAB9A
SCHEMBL6993290 0.87 DRD3 (0.55) TDP1L3MBTL1MAPTALDH1A1RAB9A
SCHEMBL29459546 0.87 DRD3 (0.55) TDP1L3MBTL1MAPTALDH1A1RAB9A
SCHEMBL6790333 0.84 TDP1 (0.71) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL7352103 0.84 TDP1 (0.57) TDP1L3MBTL1MAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100412073-C Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2008-08-20 CN disclosed
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-7109354-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US disclosed
CN-1665800-A Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2005-09-07 CN disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
EP-0709386-B1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-0060696-B1 NITROGEN HETEROCYCLES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-15 EP disclosed
EP-0030092-B1 GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-06 EP disclosed
EP-0045155-B1 GUANIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-02 EP disclosed
US-4464374-A Substituted guanidine derivatives, processes, pharmaceutical compositions and methods and intermediates ICI AMERICAS INC. (US) 1984-08-07 US disclosed
US-4460584-A GUANIDINE DERIVATIVES, ANTISECRETORY AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-07-17 US disclosed
US-4362728-A Haloguanidine compounds, pharmaceutical compositions and methods of use ICI AMERICAS INC. (US) 1982-12-07 US disclosed
EP-0060696-A1 Nitrogen heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP disclosed
EP-0059597-A2 Guanidino-substituted heterocyclic derivatives having histamine H-2 antagonist activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-08 EP disclosed
EP-0045155-A1 Guanidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-02-03 EP disclosed
EP-0030092-A1 Guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-06-10 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 (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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R TDP1 4176/4885L3MBTL1 1285/4885MAPT 3296/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R TDP1 3250/4885L3MBTL1 1375/4885MAPT 2762/4885

“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.