SCHEMBL4195883

SCHEMBL4195883

COC(=O)c1cc([N+](=O)[O-])cc(C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GPR35 Q9HC97 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.41
AKR1B1 P15121 1/20 0.40
MEN1 O00255 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL18174171 0.98 ALDH1A1 (0.45) ALDH1A1LMNACYP3A4TDP1PDGFRB
SCHEMBL27649957 0.86 ALDH1A1 (0.47) ALDH1A1LMNACYP3A4TDP1NPC1
SCHEMBL11066620 0.84 ALDH1A1 (0.67) ALDH1A1LMNACYP3A4TDP1PDGFRB
SCHEMBL525661 0.84 PDGFRB (0.47) ALDH1A1TDP1PDGFRBFGFR1PDGFRA
SCHEMBL11526281 0.83 POLB (0.53) ALDH1A1LMNATDP1NPC1POLB
SCHEMBL11510888 0.83 ALDH1A1 (0.59) ALDH1A1LMNATDP1POLBKDM4E
SCHEMBL29607722 0.83 ALDH1A1 (0.45) ALDH1A1LMNANPC1POLBKDM4E
SCHEMBL3722699 0.83 ALDH1A1 (0.45) ALDH1A1LMNANPC1POLBKDM4E
SCHEMBL11430270 0.83 ALDH1A1 (0.54) ALDH1A1LMNACYP3A4NPC1POLB
SCHEMBL2395918 0.83 ALDH1A1 (0.56) ALDH1A1LMNATDP1PDGFRBFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482376-B2 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2009-01-27 US disclosed
US-7482376-B2 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2009-01-27 US disclosed
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-1644046-A2 CONJUGATED COMPLEMENT CASCADE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2006-04-12 EP 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
WO-2005002627-A2 CONJUGATED COMPLEMENT CASCADE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-01-13 WO disclosed
US-20050004031-A1 Conjugated complement cascade inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 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
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

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

For each of this compound's patents that has machine-readable text (3 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 ALDH1A1 3674/4885LMNA 4410/4885CYP3A4 1530/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R ALDH1A1 2779/4885LMNA 4320/4885CYP3A4 1112/4885
US-20050004031-A1 Conjugated complement cascade inhibitors C9, CFH, CFB ALDH1A1 3147/4885LMNA 2162/4885CYP3A4 2219/4885

“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.