SCHEMBL3560074

SCHEMBL3560074

Cc1[nH]c2cccc([N+](=O)[O-])c2c1CC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 6/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 3/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOS1 P29475 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL261102 0.83 ALDH1A1 (0.43) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL14981556 0.83 FBP1 (0.46) ALDH1A1MAPTMAPK1L3MBTL1NPC1
SCHEMBL3556195 0.81 MAPT (0.49) ALDH1A1MAPTMAPK1L3MBTL1NPC1
SCHEMBL31326011 0.76 L3MBTL1 (0.57) MAPTMAPK1L3MBTL1NPC1TDP1
SCHEMBL3915197 0.76 L3MBTL1 (0.57) MAPTMAPK1L3MBTL1NPC1TDP1
SCHEMBL3417023 0.76 ALDH1A1 (0.65) ALDH1A1HPGDMAPTNPC1TDP1
SCHEMBL596884 0.76 GPR17 (0.40) ALDH1A1HPGDMAPTGAATSHR
SCHEMBL260104 0.72 ALDH1A1 (0.56) ALDH1A1HPGDMAPTMAPK1L3MBTL1
Potassium Ion SCHEMBL4076350 0.72 ALDH1A1 (0.52) ALDH1A1HPGDMAPTMAPK1L3MBTL1
SCHEMBL6007713 0.72 TDP1 (0.52) ALDH1A1MAPTMAPK1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
CN-101128424-A Indole compound and use thereof ONO PHARMACEUTICAL CO (JP) 2008-02-20 CN disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP 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 (1 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 ALDH1A1 1805/4885HPGD 287/4885MAPT 2921/4885

“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.