SCHEMBL3028940

SCHEMBL3028940

[CH2]CCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TSHR P16473 1/20 0.58
HPGD P15428 1/20 0.53
SIGMAR1 Q99720 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.44
KAT2B Q92831 2/20 0.44
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7289593 0.94 ALDH1A1 (0.56) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL7324252 0.93 ALDH1A1 (0.55) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL4154406 0.93 ALDH1A1 (0.55) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL1802353 0.88 ALDH1A1 (0.62) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL3202573 0.83 ALDH1A1 (0.72) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL8867793 0.82 ALDH1A1 (0.60) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL34723 0.82 ALDH1A1 (0.64) ALDH1A1TSHRHPGDL3MBTL1HTT
SCHEMBL7760229 0.81 CTSB (0.49) ALDH1A1TSHRHPGDMAPTHSD17B10
SCHEMBL6259352 0.81 ALDH1A1 (0.63) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1
SCHEMBL4690575 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHPGDSIGMAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US claimed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO claimed
EP-2825586-A2 PROCESS FOR THE ENZYMATIC DEGRADATION OF POLYURETHANES Eurofoam GmbH (AT) 2015-01-21 EP disclosed
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
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
WO-2013134801-A2 PROCESS FOR THE MATERIAL UTILIZATION OF POLYURETHANES EUROFOAM GMBH (AT) 2013-09-19 WO 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
CN-1353694-A Alpha-substituted carboxylic acid derivatives SANKYO CO (JP) 2002-06-12 CN disclosed
EP-1181279-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2002-02-27 EP disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
WO-2000069830-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2000-11-23 WO disclosed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US disclosed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO disclosed
EP-0623599-A1 Optical sensors for the determination of cations CIBA-GEIGY AG (CH) 1994-11-09 EP disclosed
US-4670218-A HOMOGENEOUS HYDROPHOBIC SUBSTANCE, IONOPHORE CAPABLE OF COMPL EXING WITH THE ION REPORTER SUBSTANCE MILES LABORATORIES, INC. (US) 1987-06-02 US disclosed
US-4645744-A FORMING COMPLEX WITH IONOPHORE ON CARRIER MATRIX MILES LABORATORIES, INC. (US) 1987-02-24 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 ALDH1A1 565/4885TSHR 1585/4885HPGD 2527/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ALDH1A1 2295/4885TSHR 643/4885HPGD 3828/4885

“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.