SCHEMBL3102944

SCHEMBL3102944

O=C(Oc1cccc([N+](=O)[O-])c1O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
TTR P02766 1/20 0.55
GPR35 Q9HC97 1/20 0.53
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
JAK2 O60674 1/20 0.51
USP2 O75604 1/20 0.51
ESR1 P03372 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ESR2 Q92731 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALOX5 P09917 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL527543 0.87 MAPT (0.71) MAPTCYP1A2CYP2C9TTRKMT2A
SCHEMBL30727558 0.87 MAPT (0.71) MAPTCYP1A2CYP2C9TTRKMT2A
Guanidine SCHEMBL1486812 0.82 MAPT (0.68) MAPTCYP1A2CYP2C9TTRKMT2A
SCHEMBL17165000 0.81 MAPT (0.68) MAPTCYP1A2CYP2C9TTRKMT2A
SCHEMBL9249718 0.81 ALOX5 (0.54) MAPTCYP1A2CYP2C9TTRGPR35
SCHEMBL16335592 0.79 MAPT (0.60) MAPTCYP1A2CYP2C9TTRKMT2A
SCHEMBL844563 0.79 ESR1 (0.72) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3150116 0.78 MAPT (0.63) MAPTCYP1A2CYP2C9TTRKMT2A
SCHEMBL3360477 0.78 POLB (0.46) MAPTCYP1A2TTRGPR35KMT2A
SCHEMBL11474202 0.78 MAPT (0.61) MAPTCYP1A2CYP2C9TTRKMT2A

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 MAPT 3124/4885CYP1A2 338/4885CYP2C9 1316/4885
US-20060194797-A1 Condensed ring compound and use thereof CYSLTR2, CYSLTR1, LTB4R2 MAPT 3124/4885CYP1A2 338/4885CYP2C9 1316/4885

“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.