SCHEMBL2906487

SCHEMBL2906487

O=[N+]([O-])c1c[c]c(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 3/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL18603 0.76 ALDH1A1 (0.43) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL193215 0.76 ALDH1A1 (0.43) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL3885956 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10ACHELMNATSHR
SCHEMBL146709 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL218653 0.74 HSD17B10 (0.52) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL193032 0.74 HSD17B10 (0.47) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL973063 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10ACHECES1TSHR
SCHEMBL8715421 0.72 ALDH1A1 (0.40) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL5671205 0.70 MAPT (0.56) ALDH1A1HSD17B10ACHELMNATSHR
SCHEMBL3282224 0.69 TDP1 (0.52) ALDH1A1LMNACES1TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363632-B1 RECEPTOR SELECTIVE CANNABIMIMETIC AMINOALKYLINDOLES UNIV CONNECTICUT (US) 2010-08-25 EP claimed
US-7173027-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2007-02-06 US claimed
JP-2005503998-A 2005-02-10 JP claimed
EP-1363632-A4 RECEPTOR SELECTIVE CANNABIMIMETIC AMINOALKYLINDOLES UNIV CONNECTICUT HEALTH CT (US) 2004-09-22 EP claimed
US-20040077851-A1 Receptor selective cannabimimetic aminoalkylindoles CONNECTICUT, UNIVERSITY OF 2004-04-22 US claimed
EP-1363632-A1 RECEPTOR SELECTIVE CANNABIMIMETIC AMINOALKYLINDOLES University of Connecticut Health Center (US) 2003-11-26 EP claimed
WO-2002060447-A1 RECEPTOR SELECTIVE CANNABIMIMETIC AMINOALKYLINDOLES UNIVERSITY OF CONNECTICUT (US) 2002-08-08 WO claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-7820144-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2010-10-26 US disclosed
WO-2008005908-A2 PYRIDOIMIDAZOLE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO disclosed
US-20070243134-A1 Receptor Selective Cannabimimetic Aminoalkylindoles CONNECTICUT, UNIVERSITY OF 2007-10-18 US disclosed
US-7241799-B2 Cannabimimetic indole derivatives UNIVERSITY OF CONNECTICUT (US) 2007-07-10 US disclosed
US-7173027-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2007-02-06 US disclosed
EP-1702617-A1 Cannabimimetic indole derivatives THE UNIVERSITY OF CONNECTICUT (US) 2006-09-20 EP disclosed
US-20050119234-A1 Cannabimimetic indole derivatives UNIVERSITY OF CONNECTICUT (US) 2005-06-02 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 (4 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-20050119234-A1 Cannabimimetic indole derivatives CNR2, CNR1, HTR2C ALDH1A1 3887/4885HSD17B10 2477/4885ACHE 1686/4885
US-20070243134-A1 Receptor Selective Cannabimimetic Aminoalkylindoles CNR2, CNR1, GPR18 ALDH1A1 3295/4885HSD17B10 3466/4885ACHE 540/4885
US-20040077851-A1 Receptor selective cannabimimetic aminoalkylindoles CNR2, CNR1, GPR18 ALDH1A1 3559/4885HSD17B10 3183/4885ACHE 656/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX ALDH1A1 1019/4885HSD17B10 708/4885ACHE 746/4885

“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.