SCHEMBL3099586

SCHEMBL3099586

COc1ccc(COc2c(C=O)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.44
ERN1 O75460 1/20 0.43
DCTPP1 Q9H773 1/20 0.43
CYP19A1 P11511 2/20 0.42
MEN1 O00255 1/20 0.41
PTPN1 P18031 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4585380 0.85 NPC1 (0.53) NPC1SMN1; SMN2RAB9AKMT2ATLR4
SCHEMBL696160 0.80 NPC1 (0.55) NPC1SMN1; SMN2RAB9ATDP1ALDH1A1
SCHEMBL1646241 0.80 NPC1 (0.58) NPC1SMN1; SMN2RAB9AKMT2ATDP1
SCHEMBL2885741 0.79 ERN1 (0.57) NPC1SMN1; SMN2KMT2ATDP1ALDH1A1
SCHEMBL10265524 0.79 NPC1 (0.53) NPC1SMN1; SMN2RAB9ATDP1TLR4
SCHEMBL13006159 0.79 NPC1 (0.53) NPC1SMN1; SMN2RAB9ATDP1TLR4
SCHEMBL15670846 0.79 ALDH1A1 (0.61) NPC1SMN1; SMN2RAB9AKMT2ATDP1
SCHEMBL12300713 0.79 HTR1A (0.50) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL14228209 0.78 ERN1 (0.49) NPC1SMN1; SMN2RAB9AKMT2ATDP1
SCHEMBL7811547 0.78 HTR1A (0.49) NPC1SMN1; SMN2RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661892-B1 CONDENSED RING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-07-24 EP disclosed
US-8318952-B2 Substituted indole derivatives for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2012-11-27 US disclosed
EP-2481732-A1 Condensed ring compound and use thereof Ono Pharmaceutical Co., Ltd. (JP) 2012-08-01 EP disclosed
US-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF TAKEUCHI JUN 2010-09-16 US disclosed
US-7763610-B2 Carboxylic acid derived benzoxazines as agents for the treatment of respiratory diseases ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 US disclosed
US-20060194797-A1 Condensed ring compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1661892-A1 CONDENSED RING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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 (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-20100234368-A1 CONDENSED RING COMPOUND AND USE THEREOF CYSLTR2, CYSLTR1, LTB4R2 NPC1 1972/4885SMN1; SMN2 4794/4885RAB9A 2111/4885
US-20060194797-A1 Condensed ring compound and use thereof CYSLTR2, CYSLTR1, LTB4R2 NPC1 1972/4885SMN1; SMN2 4794/4885RAB9A 2111/4885

“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.