SCHEMBL3164372

SCHEMBL3164372

O=Cc1cc2ccccc2cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ PRKDC P78527 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ ERN1 O75460 6/20 0.49
▸ CASP6 P55212 1/20 0.47
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HPRT1 P00492 1/20 0.43
▸ ALDH5A1 P51649 1/20 0.41
▸ ABAT P80404 1/20 0.41
▸ VCAM1 P19320 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL31549326 0.81 CASP6 (0.59) ALDH1A1CYP3A4MAPTHSD17B10CASP6
SCHEMBL11203665 0.81 CASP6 (0.59) ALDH1A1CYP3A4MAPTHSD17B10CASP6
SCHEMBL9215364 0.79 ALDH1A1 (0.62) ALDH1A1CYP3A4MAPTKDM4EALOX15
SCHEMBL11268929 0.79 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPTKDM4EALOX15
SCHEMBL3164630 0.79 ERN1 (0.48) ALDH1A1CYP3A4MAPTKDM4EALOX15
SCHEMBL3173935 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPTKDM4EALOX15
SCHEMBL9763412 0.77 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPTKDM4EALOX15
SCHEMBL13524148 0.76 MAPT (0.67) ALDH1A1MAPTKDM4ECASP6MEN1
SCHEMBL29364404 0.76 LMNA (0.58) ALDH1A1ERN1TSHRTDP1MEN1
SCHEMBL652955 0.76 LMNA (0.58) ALDH1A1ERN1TSHRTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140050778-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2014-02-20 — — US disclosed
WO-2012092367-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF UNIVERSITY OF ROCHESTER (US) 2012-07-05 — — WO disclosed
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2011-02-03 — — US disclosed
US-20100324266-A1 Photocleavable Protecting Groups AFFYMETRIX, INC. (US) 2010-12-23 — — US disclosed
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 — — US disclosed
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 — — US disclosed
CN-101570517-A 1- (4-benzyl-piperazin-1-yl) -3-phenyl-propenone derivatives NOVARTIS AG (CH) 2009-11-04 — — CN disclosed
CN-100554257-C 1- (4-benzyl-piperazin-1-yl) -3-phenyl-propenone derivatives NOVARTIS AG (CH) 2009-10-28 — — CN disclosed
US-20090076295-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2009-03-19 — — US disclosed
US-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG (CH) 2006-08-03 — — US disclosed
CN-1708489-A 1- (4-benzyl-piperazin-1-yl) -3-phenyl-propenone derivatives NOVARTIS AG (CH) 2005-12-14 — — CN disclosed
EP-1558594-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES Novartis AG (CH) 2005-08-03 — — EP disclosed
WO-2004037796-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES NOVARTIS AG (CH) 2004-05-06 — — WO disclosed
US-6329546-B1 FOR INVESTIGATING THE MECHANISM OF ACTION OF A PHYSIOLOGICALLY ACTIVE AMINO ACID COMPOUND SUCH AS GLUTAMIC ACID IN AN ORGANISM LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 2001-12-11 — — US disclosed
US-6229020-B1 REACTING N-SUCCINIMIDYL AND P-NITROPHENYL CINNAMATE DERIVATIVES WITH PHYSIOLOGICALLY ACTIVE SUBSTANCE SUCH AS AN AMINO ACID; PROTECTING AMINO OR HYDROXY GROUPS FOR ANALYSIS OF BIOLOGICAL REACTIONS BY IRRADIATION WITH LIGHT LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 2001-05-08 — — US disclosed
EP-0199153-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-11-07 — — EP disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 — — US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 — — EP disclosed
EP-0199153-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1986-10-29 — — EP disclosed
US-4608390-A ANTIINFLAMMORY, ANTIALLERGENS, ASTHMA, PSORIASIS, ARTHRITIS ABBOTT LABORATORIES (US) 1986-08-26 — — 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 (5 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-20140050778-A1 NUCLEIC ACID BINDING COMPOUNDS, METHODS OF MAKING, AND USE THEREOF NSUN3, NSUN2, HNRNPF ALDH1A1 1547/4885CYP3A4 4031/4885MAPT 2994/4885
US-20100324266-A1 Photocleavable Protecting Groups POLL, PCNA, ERCC4 ALDH1A1 1340/4885CYP3A4 3603/4885MAPT 2839/4885
US-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives CCR1, CCR3, CCR4 ALDH1A1 290/4885CYP3A4 1170/4885MAPT 2279/4885
US-20090076295-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, PCNA, ERCC4 ALDH1A1 1340/4885CYP3A4 3603/4885MAPT 2839/4885
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, ERCC5, FBL ALDH1A1 2363/4885CYP3A4 3236/4885MAPT 2833/4885

“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.

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