SCHEMBL1012022

SCHEMBL1012022

NC(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.63
NPSR1 Q6W5P4 1/20 0.61
NAALAD2 Q9Y3Q0 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
ACE P12821 2/20 0.56
CPA1 P15085 2/20 0.56
ACE2 Q9BYF1 2/20 0.56
CA2 P00918 2/20 0.56
CA1 P00915 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FPR2 P25090 4/20 0.55
PTPN1 P18031 1/20 0.55

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
SCHEMBL1012053 1.00 MME (0.63) MMENPSR1NAALAD2L3MBTL1ACE
SCHEMBL1012023 1.00 MME (0.63) MMENPSR1NAALAD2L3MBTL1ACE
Hydrochloric Acid SCHEMBL1262435 0.98 MME (0.61) MMENPSR1NAALAD2L3MBTL1ACE
Ammonia Solution, Strong SCHEMBL10824808 0.98 MME (0.61) MMENPSR1NAALAD2L3MBTL1ACE
Ammonia Solution, Strong SCHEMBL10824805 0.98 MME (0.61) MMENPSR1NAALAD2L3MBTL1ACE
SCHEMBL6853867 0.89 HPGDS (0.56) MMEPOLBSMN1; SMN2
SCHEMBL26527726 0.86 NAALAD2 (0.61) MMENPSR1NAALAD2L3MBTL1FPR2
SCHEMBL8072837 0.86 MME (0.60) MMEACECPA1ACE2
SCHEMBL3829705 0.86 FOLH1 (0.61) MMENAALAD2L3MBTL1ACECPA1
SCHEMBL1498340 0.86 MME (0.59) MMENPSR1NAALAD2L3MBTL1ACE

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 122 patents — showing the first 20. 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
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-1001764-A4 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2005-08-24 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
JP-2002512625-A 2002-04-23 JP claimed
EP-1001764-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-24 EP claimed
WO-1999064395-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-12-16 WO claimed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO claimed
CN-1100426-A Lysosomal enzyme-cleavable antitumor drug conjugates BRISTOL MYERS SQUIBB CO (US) 1995-03-22 CN claimed
JP-63054342-A None JP disclosed
JP-60011457-A None JP disclosed
JP-1139560-A None JP disclosed
JP-61122261-A None JP disclosed
JP-61148156-A None JP disclosed
EP-0071395-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1983-02-09 EP disclosed
US-4277404-A INTERMEDIATES FOR TRANQUILIZERS PFIZER INC. (US) 1981-07-07 US disclosed
US-4267331-A REDUCTIVE ALKYLATION OF A 5-PHENYL-2,3,4,4A,5,9B-HEXAHYDRO-1H-PYRIDO/4,3-B/INDOLE WITH A REDUCING AGENT AND A 2-HYDROXY-5- OR 6-PHENYLFURAN OR -PYRAN PFIZER INC. (US) 1981-05-12 US disclosed
US-4252812-A TRANQUILIZERS PFIZER INC. (US) 1981-02-24 US disclosed
US-4224329-A TRANQUILIZERS PFIZER INC. (US) 1980-09-23 US disclosed
JP-S06363395-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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R MME 373/4885NPSR1 594/4885NAALAD2 4017/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R MME 109/4885NPSR1 1180/4885NAALAD2 3178/4885

“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.