SCHEMBL663383

SCHEMBL663383

COc1ccc(-c2cc(-c3cccc([N+](C)(C(=O)O)N(C)C(=O)O)n3)nc(-c3cccc([N+](C)(C(=O)O)N(C)C(=O)O)n3)c2)cc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 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
ABCB1 P08183 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
ABCC1 P33527 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ESR1 P03372 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR2 Q92731 1/20 0.31
NOS1 P29475 1/20 0.31
LCK P06239 1/20 0.31

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
SCHEMBL8597557 0.91 ADORA3 (0.32) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL8542668 0.84 ALDH1A1 (0.37) ALDH1A1ADORA3MAPT
SCHEMBL4244108 0.81 ALDH1A1 (0.34) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL905936 0.74 ALDH1A1 (0.34) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL663382 0.74 SLC6A9 (0.36) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL30803820 0.73 ADORA2A (0.37) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL7717266 0.73 ADORA2A (0.37) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL8936038 0.73 ADORA2A (0.37) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL8935948 0.72 ADORA2A (0.36) ALDH1A1LMNAHTTL3MBTL1ADORA3
SCHEMBL8547909 0.69 KDR (0.37) ALDH1A1LMNAHTTL3MBTL1APP

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 111 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
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
US-5523402-A COMPLEXING AGENTS FOR TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1996-06-04 US disclosed
EP-0639083-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1995-02-22 EP disclosed
US-5367080-A PYRIDINE DERIVATIVES STERLING WINTHROP INC. (US) 1994-11-22 US disclosed
EP-0624097-A1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1994-11-17 EP disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO 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 ALDH1A1 2350/4885LMNA 2158/4885HTT 183/4885
US-20150203568-A1 ALBUMIN FUSION PROTEINS ALB, FABP1, HDGF ALDH1A1 2350/4885LMNA 2158/4885HTT 183/4885
US-20160152687-A1 ALBUMIN FUSION PROTEINS ALB, FABP1, HDGF ALDH1A1 2350/4885LMNA 2158/4885HTT 183/4885
US-20140303077-A1 ALBUMIN FUSION PROTEINS ALB, FABP1, HDGF ALDH1A1 2350/4885LMNA 2158/4885HTT 183/4885
US-20020076378-A1 Polymers PARG, PAICS, PIGO ALDH1A1 2505/4885LMNA 2995/4885HTT 1563/4885
US-20140328794-A1 ALBUMIN FUSION PROTEINS ALB, FABP1, IAPP ALDH1A1 2321/4885LMNA 2320/4885HTT 347/4885

“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.