SCHEMBL5841368

SCHEMBL5841368

NC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.76
CA12 O43570 3/20 0.63
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
CA9 Q16790 3/20 0.63
MEN1 O00255 1/20 0.62
ABL1 P00519 1/20 0.62
LMNA P02545 1/20 0.62
PKM P14618 1/20 0.62
IDE P14735 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
RIN1 Q13671 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
PLCD1 P51178 1/20 0.61
HLCS P50747 1/20 0.58
ITGB1 P05556 1/20 0.58
ITGA4 P13612 1/20 0.58
F2 P00734 1/20 0.58
PRSS1 P07477 1/20 0.58

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
SCHEMBL18025829 1.00 TDP1 (0.76) TDP1CA12CA1CA2CA9
SCHEMBL31621058 1.00 TDP1 (0.76) TDP1CA12CA1CA2CA9
SCHEMBL13169001 1.00 TDP1 (0.76) TDP1CA12CA1CA2CA9
SCHEMBL8407567 1.00 TDP1 (0.76) TDP1CA12CA1CA2CA9
SCHEMBL19069314 1.00 TDP1 (0.76) TDP1CA12CA1CA2CA9
SCHEMBL24750115 1.00 TDP1 (0.76) TDP1CA12CA1CA2CA9
SCHEMBL8333056 0.98 TDP1 (0.73) TDP1CA12CA1CA2CA9
SCHEMBL24627775 0.97 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL18779801 0.95 TDP1 (0.78) TDP1CA12CA1CA2CA9
SCHEMBL19960973 0.94 TDP1 (0.74) TDP1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US claimed
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 claimed
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 claimed
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 claimed
WO-2019008164-A1 BIOCONJUGATES WITH A CONTROLLED DEGREE OF CONJUGATION, THEIR PROCESS OF PREPARATION, AND THE REAGENTS FOR THEIR PREPARATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-01-10 WO disclosed
US-8383424-B2 Methods for detection of cyclosporin A SIEMENS HEALTHCARE DIAGNOSTICS (US) 2013-02-26 US disclosed
US-20110230638-A1 METHODS FOR DETECTION OF CYCLOSPORIN A SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2011-09-22 US disclosed
US-20090170218-A1 METHODS FOR DETECTION OF CYCLOSPORIN A DADE BEHRING INC. (US) 2009-07-02 US disclosed
US-20070042439-A1 Porphyrin compound containing biotinyl group and use thereof RIKEN 2007-02-22 US disclosed
US-20070042439-A1 Porphyrin compound containing biotinyl group and use thereof RIKEN 2007-02-22 US 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
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20070042439-A1 Porphyrin compound containing biotinyl group and use thereof HBB, PPOX, CYC1 TDP1 4879/4885CA12 567/4885CA1 2757/4885
US-20110230638-A1 METHODS FOR DETECTION OF CYCLOSPORIN A CHP1, PPP3R1, SERPINA6 TDP1 3662/4885CA12 1036/4885CA1 747/4885
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R TDP1 4176/4885CA12 1703/4885CA1 2127/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R TDP1 3250/4885CA12 2821/4885CA1 2887/4885
US-20090170218-A1 METHODS FOR DETECTION OF CYCLOSPORIN A CHP1, PPP3R1, SERPINA6 TDP1 3662/4885CA12 1036/4885CA1 747/4885

“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.