SCHEMBL10218249

SCHEMBL10218249

Cc1ccc2oc(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.82
KDM4E B2RXH2 6/20 0.82
ALDH1A1 P00352 6/20 0.82
HPGD P15428 5/20 0.82
NFKB1 P19838 5/20 0.82
NFKB2 Q00653 5/20 0.82
RELA Q04206 5/20 0.82
LMNA P02545 1/20 0.82
NPC1 O15118 7/20 0.81
RAB9A P51151 7/20 0.81
TP53 P04637 6/20 0.81
HSD17B10 Q99714 4/20 0.81
CASP3 P42574 4/20 0.71
SENP7 Q9BQF6 4/20 0.71
SENP6 Q9GZR1 3/20 0.71
POLB P06746 2/20 0.71
SENP8 Q96LD8 2/20 0.71
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63

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
SCHEMBL14947173 0.92 ALDH1A1 (0.96) SMN1; SMN2KDM4EALDH1A1HPGDNFKB1
SCHEMBL11560753 0.90 KDM4E (1.00) SMN1; SMN2KDM4EALDH1A1HPGDNFKB1
SCHEMBL15047797 0.90 ALDH1A1 (0.93) SMN1; SMN2KDM4EALDH1A1HPGDNFKB1
SCHEMBL3288386 0.90 ALDH1A1 (1.00) SMN1; SMN2KDM4EALDH1A1HPGDNFKB1
SCHEMBL2242771 0.87 NPC1 (0.72) SMN1; SMN2KDM4EALDH1A1HPGDNFKB1
SCHEMBL10045311 0.85 ALDH1A1 (0.84) SMN1; SMN2KDM4EALDH1A1HPGDNFKB1
SCHEMBL474369 0.84 RAB9A (0.82) SMN1; SMN2KDM4EALDH1A1HPGDNFKB1
SCHEMBL2760352 0.84 KDM4E (0.81) SMN1; SMN2KDM4EALDH1A1HPGDNFKB1
SCHEMBL10061932 0.84 SMN1; SMN2 (0.81) SMN1; SMN2KDM4EALDH1A1HPGDNFKB1
SCHEMBL22103734 0.84 NPC1 (0.81) SMN1; SMN2KDM4EALDH1A1HPGDNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304409-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-11-06 US disclosed
US-8222277-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-07-17 US disclosed
US-8088762-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2012-01-03 US disclosed
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NICOX S.A. (IT) 2011-04-28 US disclosed
US-7754772-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX, S.A. (FR) 2010-07-13 US disclosed
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-06-03 US disclosed
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
US-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NICOX SA (FR) 2010-04-15 US disclosed
CN-100482717-C Polybenzole kind aryl ether monomer, copolymer and its synthesis method JINHUAN LI (CN) 2009-04-29 CN disclosed
US-7163958-B2 Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED INC. (US) 2007-01-16 US disclosed
CN-1869102-A Polybenzole kind aryl ether monomer, copolymer and its synthesis method LI JINHUAN (CN) 2006-11-29 CN 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-20100093708-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 SMN1; SMN2 2338/4885KDM4E 4390/4885ALDH1A1 385/4885
US-20110098253-A1 Nitrosated Nonsteroidal Antiinflammatory Compounds, Compositions and Methods of Use NOS2, NOS1, NOS3 SMN1; SMN2 2499/4885KDM4E 4443/4885ALDH1A1 377/4885
US-20100093671-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 SMN1; SMN2 2338/4885KDM4E 4390/4885ALDH1A1 385/4885
US-20100137291-A1 NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS2, NOS1, NOS3 SMN1; SMN2 2338/4885KDM4E 4390/4885ALDH1A1 385/4885

“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.