SCHEMBL6840488

SCHEMBL6840488

C/C(=N\O)c1cc(C)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
UHRF1 Q96T88 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
PLAU P00749 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
CA9 Q16790 1/20 0.37
HSP90AA1 P07900 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
ALDH1A1 P00352 2/20 0.34
FDPS P14324 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL20412623 0.81 CCR1 (0.53) KDM4EUHRF1CCR1CCR5CCR8
SCHEMBL8284487 0.80 KDM4E (0.55) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL13593104 0.78 KDM4E (0.53) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL16139802 0.78 KDM4E (0.53) KDM4EKMT2AMEN1HSP90AA1HKDC1
SCHEMBL1581019 0.78 PLAU (0.50) KDM4EUHRF1CCR1CCR5CCR8
SCHEMBL1581020 0.78 PLAU (0.50) KDM4EUHRF1CCR1CCR5CCR8
SCHEMBL19615659 0.76 KDM4E (0.50) KDM4EPLAUNOS3NOS1NOS2
SCHEMBL19615702 0.76 KDM4E (0.50) KDM4EPLAUNOS3NOS1NOS2
SCHEMBL19632068 0.76 KDM4E (0.50) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL397492 0.75 ALDH1A1 (0.52) KDM4EUHRF1CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9953768-B2 Metal-complex dye, photoelectric conversion element, dye-sensitized solar cell, and dye solution containing metal-complex dye FUJIFILM CORPORATION (JP) 2018-04-24 US disclosed
US-20160012977-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE FUJIFILM CORPORATION (JP) 2016-01-14 US disclosed
US-20160012977-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE FUJIFILM CORPORATION (JP) 2016-01-14 US disclosed
US-9087642-B2 Photoelectric conversion element, photoelectrochemical cell, and metal complex dye used therein FUJIFILM CORPORATION (JP) 2015-07-21 US disclosed
US-9087642-B2 Photoelectric conversion element, photoelectrochemical cell, and metal complex dye used therein FUJIFILM CORPORATION (JP) 2015-07-21 US disclosed
EP-2763233-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX PIGMENT USED IN SAME FUJI-FILM Corporation (JP) 2014-08-06 EP disclosed
US-20140209172-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX DYE USED THEREIN FUJIFILM CORPORATION (JP) 2014-07-31 US disclosed
US-20140209172-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX DYE USED THEREIN FUJIFILM CORPORATION (JP) 2014-07-31 US disclosed
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 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 (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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP KDM4E 3048/4885UHRF1 3070/4885CCR1 2263/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP KDM4E 3048/4885UHRF1 3070/4885CCR1 2263/4885
US-20160012977-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE KCNN1, KCNN2, KCNN3 KDM4E 600/4885UHRF1 4658/4885CCR1 2750/4885
US-20140209172-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX DYE USED THEREIN L1CAM, CDH1, CD4 KDM4E 2105/4885UHRF1 3788/4885CCR1 1176/4885

“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.