SCHEMBL663382

SCHEMBL663382

COc1ccc(-c2cc(-c3cccc(N(C)N(CC(=O)O)CC(=O)O)n3)nc(-c3cccc(N(C)N(CC(=O)O)CC(=O)O)n3)c2)cc1N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.36
NOS1 P29475 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
APP P05067 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CTSA P10619 2/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL8547909 0.89 KDR (0.37) NOS1ALDH1A1LMNAHTTL3MBTL1
SCHEMBL8542648 0.84 ALDH1A1 (0.37) SLC6A9NOS1ALDH1A1ADORA3CTSA
SCHEMBL8935948 0.82 ADORA2A (0.36) SLC6A9NOS1ALDH1A1LMNAHTT
SCHEMBL7717266 0.82 ADORA2A (0.37) SLC6A9NOS1ALDH1A1LMNAHTT
SCHEMBL30803820 0.82 ADORA2A (0.37) SLC6A9NOS1ALDH1A1LMNAHTT
SCHEMBL4244108 0.81 ALDH1A1 (0.34) NOS1ALDH1A1LMNAHTTL3MBTL1
SCHEMBL8936038 0.81 ADORA2A (0.37) SLC6A9NOS1ALDH1A1LMNAHTT
SCHEMBL905936 0.80 ALDH1A1 (0.34) NOS1ALDH1A1LMNAHTTL3MBTL1
SCHEMBL7770333 0.76 ADORA2A (0.44) SLC6A9ALDH1A1ADORA3
SCHEMBL8597197 0.75 ADORA3 (0.32) ALDH1A1LMNAHTTL3MBTL1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040022735-A1 Enzyme activated contrast agents GENERAL ELECTRIC COMPANY 2004-02-05 US claimed
US-20020076378-A1 Polymers NYCOMED IMAGING AS 2002-06-20 US claimed
US-20160152687-A1 ALBUMIN FUSION PROTEINS HUMAN GENOME SCIENCES, INC. 2016-06-02 US disclosed
US-9296809-B2 Albumin fusion proteins HUMAN GENOME SCIENCES, INC. (US) 2016-03-29 US disclosed
US-9221896-B2 Albumin fusion proteins HUMAN GENOME SCIENCES, INC. (US) 2015-12-29 US disclosed
US-20150329619-A1 ALBUMIN FUSION PROTEINS HUMAN GENOME SCIENCES, INC. 2015-11-19 US disclosed
US-20150203568-A1 ALBUMIN FUSION PROTEINS HUMAN GENOME SCIENCES, INC. 2015-07-23 US disclosed
US-8993517-B2 Albumin fusion proteins HUMAN GENOME SCIENCES, INC. (US) 2015-03-31 US disclosed
US-8969538-B2 Albumin fusion proteins HUMAN GENOME SCIENCES, INC. (US) 2015-03-03 US disclosed
US-20140328794-A1 ALBUMIN FUSION PROTEINS HUMAN GENOME SCIENCES, INC. (US) 2014-11-06 US disclosed
US-20140303077-A1 ALBUMIN FUSION PROTEINS HUMAN GENOME SCIENCES, INC. (US) 2014-10-09 US disclosed
US-20030180296-A1 Antibodies that immunospecifically bind to trail receptors HUMAN GENOME SCIENCES, INC. 2003-09-25 US disclosed
US-6610269-B1 Disease state imaged using a targeted contrast agent of the formula V-L-R, where V is a vector moiety having affinity for an angiogenesis-related endothelial cell receptor, L is a linker, R is a macromolecular or particulate label AMERSHAM HEALTH AS (NO) 2003-08-26 US disclosed
US-6264914-B1 CONTAINING IMIDAZOLE RING NYCOMED IMAGING AS (NO) 2001-07-24 US disclosed
US-6051207-A PHOSPHATIDYLSERINE LINKED ISOXAZOLE SULFONAMIDE DERIVATIVES; DIAGNOSING AND IMAGING CARDIOVASCULAR DISORDERS NYCOMED IMAGING AS (NO) 2000-04-18 US disclosed
EP-0624097-B1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1998-03-18 EP disclosed
US-5707603-A Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions NYCOMED IMAGING AS (NO) 1998-01-13 US disclosed
US-5677445-A DIAGNOSIS, THERAPY NYCOMED IMAGING AS (NO) 1997-10-14 US disclosed
EP-0624097-A1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1994-11-17 EP disclosed
WO-1992008494-A2 TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1992-05-29 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 (6 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-20150329619-A1 ALBUMIN FUSION PROTEINS ALB, FABP1, HDGF SLC6A9 2650/4885NOS1 4280/4885ALDH1A1 2350/4885
US-20150203568-A1 ALBUMIN FUSION PROTEINS ALB, FABP1, HDGF SLC6A9 2650/4885NOS1 4280/4885ALDH1A1 2350/4885
US-20160152687-A1 ALBUMIN FUSION PROTEINS ALB, FABP1, HDGF SLC6A9 2650/4885NOS1 4280/4885ALDH1A1 2350/4885
US-20140303077-A1 ALBUMIN FUSION PROTEINS ALB, FABP1, HDGF SLC6A9 2650/4885NOS1 4280/4885ALDH1A1 2350/4885
US-20020076378-A1 Polymers PARG, PAICS, PIGO SLC6A9 2354/4885NOS1 1691/4885ALDH1A1 2505/4885
US-20140328794-A1 ALBUMIN FUSION PROTEINS ALB, FABP1, IAPP SLC6A9 2653/4885NOS1 4069/4885ALDH1A1 2321/4885

“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.