SCHEMBL535559

SCHEMBL535559

[CH2]COc1ccccc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.72
NPC1 O15118 3/20 0.72
RECQL P46063 2/20 0.72
ALDH1A1 P00352 6/20 0.58
TDP1 Q9NUW8 1/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL6966640 0.85 NPC1 (0.79) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL9187561 0.84 NPC1 (1.00) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL3032330 0.84 NPC1 (0.77) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL9642715 0.82 NPC1 (0.89) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL7476786 0.82 NPC1 (0.74) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL8778559 0.81 NPC1 (0.72) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL23909596 0.81 RAB9A (0.72) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL2436211 0.81 ALDH1A1 (0.79) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL2461884 0.81 RAB9A (0.72) RAB9ANPC1RECQLALDH1A1TDP1
SCHEMBL11323684 0.81 RAB9A (0.72) RAB9ANPC1RECQLALDH1A1TDP1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
CN-1993339-B Aromatic compound OTSUKA PHARMA CO LTD 2013-05-22 CN disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-5965587-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-10-12 US disclosed
EP-0888311-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
CN-1192200-A Phenylacetic acid derivatives, process and intermediates for their preparation, and their use as pest-killing compositions and fungicides BASF AG (DE) 1998-09-02 CN disclosed
CN-1166829-A Iminooxymethylene anilides, process and intermediate products for preparing the same and pesticides containing the same BASF AG (DE) 1997-12-03 CN disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
WO-1997033874-A1 PYRIMIDYL PHENYL AND BENZYL ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
CN-1152908-A Phenyl acetic acid derivatives, process and intermediate products for their production and agents containing them BASF AG (DE) 1997-06-25 CN disclosed
CN-1143361-A Phenylacetic acid derivatives, their preparation and intermediates, and compositions containing them BASF AG (DE) 1997-02-19 CN disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
US-4000167-A DYEING POLYESTER FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 RAB9A 2782/4885NPC1 1029/4885RECQL 1766/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 RAB9A 3051/4885NPC1 3333/4885RECQL 4796/4885

“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.