SCHEMBL1128419

SCHEMBL1128419

O=C(OCc1ccccc1)[N+]1([O-])CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 3/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MEN1 O00255 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX1 P07099 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4167580 0.98 ALDH1A1 (0.49) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL9785319 0.95 ALDH1A1 (0.49) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL1972879 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7424759 0.78 ALDH1A1 (0.45) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7416001 0.78 ALDH1A1 (0.45) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL5849243 0.77 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL19546677 0.77 ALDH1A1 (0.44) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL7422643 0.76 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL8602160 0.76 ALDH1A1 (0.43) ALDH1A1KMT2ATDP1MAPK1L3MBTL1
SCHEMBL19546678 0.75 ALDH1A1 (0.45) ALDH1A1KMT2ATDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed
EP-0854869-B1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION LILLY CO ELI (US) 2004-08-25 EP disclosed
US-6693109-B2 SUCH AS ETHYL(3-(4-(AMINOIMINOMETHYL)PHENYL)-1-OXA-2,8-DIAZA-SPIRO(4.5)DEC-2-EN-8 -YL)ACETATE ELI LILLY AND COMPANY 2004-02-17 US disclosed
US-20030171373-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation FISHER MATTHEW J (US) 2003-09-11 US disclosed
US-6528534-B2 Useful as glycoprotein IIb/IIIa antagonists for prophylaxis thrombosis, therapy of atheroschlerosis, arterioschlerosis, acute myocardial infarction, chronic stable angina, unstable angina, transient ischemic attacks and strokes MILLENNIUM PHARMACEUTICALS, INC. 2003-03-04 US disclosed
US-20020013325-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation FISHER MATTHEW J (US) 2002-01-31 US disclosed
US-6291469-B1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation ELI LILLY AND COMPANY 2001-09-18 US disclosed
EP-0854869-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1998-07-29 EP disclosed
WO-1997011940-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1997-04-03 WO disclosed
WO-1990001025-A1 ENAMINE QUATERNARY COMPOUNDS, METHODS OF MAKING AND THEIR USE AS MUSCLE RELAXANTS BOC, INC. (US) 1990-02-08 WO disclosed
US-4863918-A Enamine quaternary compounds, methods of making and their use as muscle relaxants BOC, INC. (US) 1989-09-05 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 (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-20030171373-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, SELP ALDH1A1 248/4885KMT2A 4697/4885TDP1 3516/4885
US-20020013325-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, SELP ALDH1A1 248/4885KMT2A 4697/4885TDP1 3516/4885

“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.