SCHEMBL10064564

SCHEMBL10064564

CC(/C=C/Nc1ccccc1)=C\C=N\c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
NPC1 O15118 10/20 0.42
RAB9A P51151 10/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 5/20 0.35
PKM P14618 4/20 0.35
MEN1 O00255 4/20 0.35
GAA P10253 3/20 0.35
MAPK1 P28482 3/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL13790518 1.00 KMT2A (0.55) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3910252 0.98 KMT2A (0.54) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13100762 0.81 KMT2A (0.55) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12786513 0.81 KMT2A (0.51) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10031422 0.78 NOS3 (0.36) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10064354 0.77 NOS1 (0.39) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22133451 0.77 NPC1 (0.47) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12786517 0.77 KMT2A (0.50) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23191752 0.76 NPC1 (0.53) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13593168 0.76 KMT2A (0.37) KMT2ARAB9AALDH1A1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021125295-A1 COMPOUND AND FLUORESCENTLY LABELED BIOLOGICAL SUBSTANCE USING SAME 富士フイルム株式会社 2021-06-24 WO disclosed
US-8765961-B2 Near infrared fluorescent imaging agent FUJIFILM CORPORATION (JP) 2014-07-01 US disclosed
US-8765961-B2 Near infrared fluorescent imaging agent FUJIFILM CORPORATION (JP) 2014-07-01 US disclosed
US-8110597-B2 Radioactive isotope-labeled dye compound FUJIFILM CORPORATION (JP) 2012-02-07 US disclosed
US-20110054181-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110054181-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110054188-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110054188-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
EP-2289563-A1 Near infrared fluorescent imaging agent Fujifilm Corporation (JP) 2011-03-02 EP disclosed
EP-2289562-A1 Near infrared fluorescent imaging agent Fujifilm Corporation (JP) 2011-03-02 EP disclosed
US-20090041670-A1 Near Infrared Fluorescent Contrast Agent And Method For Fluorescence Imaging BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-12 US disclosed
US-7473415-B2 Near infrared fluorescent contrast agent and method for fluorescence imaging FUJI PHOTO FILM CO., LTD. (JP) 2009-01-06 US disclosed
US-7238461-B2 Optical information-recording medium, novel oxonol compound and method of recording information FUJIFILM CORPORATION (JP) 2007-07-03 US disclosed
US-20070020562-A1 Optical information-recording medium, novel oxonol compound and method of recording information FUJI PHOTO FILM CO., LTD. 2007-01-25 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 (3 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-20110054181-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT MSR1, RXFP1, IK KMT2A 3917/4885NPC1 2027/4885RAB9A 2237/4885
US-20090041670-A1 Near Infrared Fluorescent Contrast Agent And Method For Fluorescence Imaging ARG1, F12, CD68 KMT2A 2967/4885NPC1 2235/4885RAB9A 667/4885
US-20110054188-A1 NEAR INFRARED FLUORESCENT IMAGING AGENT MSR1, IK, RXFP1 KMT2A 4027/4885NPC1 3586/4885RAB9A 2066/4885

“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.