SCHEMBL1478701

SCHEMBL1478701

O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
TSHR P16473 5/20 0.47
GPR35 Q9HC97 1/20 0.46
DTYMK P23919 1/20 0.44
CDK2 P24941 1/20 0.43
VCAM1 P19320 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CASP6 P55212 1/20 0.41
PKM P14618 1/20 0.41
SLC25A1 P53007 1/20 0.38

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
SCHEMBL3291904 1.00 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL8744067 0.92 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL8065083 0.86 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL10558853 0.86 TSHR (0.47) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL12603011 0.85 GPR35 (0.53) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL27081346 0.85 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL6136028 0.85 TSHR (0.49) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL29891185 0.85 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL8066780 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL10536923 0.81 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
EP-1016405-A2 Arylating medicaments Radopath Pharmaceuticals International Limited (GB) 2000-07-05 EP claimed
EP-0751768-A1 ANTI-VIRAL AND ANTI-CANCER AGENTS RADOPATH LIMITED (GB) 1997-01-08 EP claimed
CN-1124012-A Arylating medicaments RADOPATH LTD (GB) 1996-06-05 CN claimed
EP-0700287-A1 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1996-03-13 EP claimed
EP-0677292-A1 Anti-viral and anti-cancer agents RADOPATH LIMITED (GB) 1995-10-18 EP claimed
WO-1995024897-A1 ANTI-VIRAL AND ANTI-CANCER AGENTS RADOPATH LIMITED (GB) 1995-09-21 WO claimed
WO-1994027584-A2 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1994-12-08 WO claimed
US-20110171267-A1 ANTI-FUNGAL COMPOSITION Immunitor USA, Inc. 2011-07-14 US disclosed
US-7914799-B2 Vaccine; heat deactivated antigen; induce immunology response Immunitor USA, Inc. (US) 2011-03-29 US disclosed
US-4169153-A PROPHYLAXIS, ANTIHISTAMINES THE UPJOHN COMPANY (US) 1979-09-25 US disclosed
US-4091011-A PROPHYLACTIC ANTIANAPHYLACTICS, ANTIALLERGENS THE UPJOHN COMPANY (US) 1978-05-23 US disclosed
US-3995044-A Pyridine carboxylic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1976-11-30 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 ALDH1A1 1569/4885CYP1A2 1066/4885CYP2D6 1222/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 ALDH1A1 1723/4885CYP1A2 968/4885CYP2D6 1122/4885

“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.