SCHEMBL1000894

SCHEMBL1000894

[CH]=C/C=C/Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 7/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
IDO1 P14902 2/20 0.40
TDP1 Q9NUW8 4/20 0.38
HSD17B10 Q99714 3/20 0.38
CTSD P07339 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.36
PTGS2 P35354 2/20 0.36
ALOX15 P16050 2/20 0.36

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
SCHEMBL1000895 1.00 KMT2A (0.50) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL16167075 0.79 KMT2A (0.53) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL223592 0.79 ALDH1A1 (0.60) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL223591 0.79 ALDH1A1 (0.60) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL138933 0.76 ALDH1A1 (0.58) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL16642045 0.76 KMT2A (0.50) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL138932 0.76 ALDH1A1 (0.58) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL100984 0.76 KMT2A (0.50) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL27647042 0.76 KMT2A (0.50) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL14627607 0.76 KMT2A (0.50) KMT2AALDH1A1NPC1RAB9ANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874871-B1 WATER SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS GE HEALTHCARE UK LTD (GB) 2012-10-03 EP disclosed
US-8148539-B2 Cyanine dye labelling reagents GE HEALTHCARE UK LIMITED (GB) 2012-04-03 US disclosed
EP-1678258-B1 CYANINE DYE LABELLING REAGENTS GE HEALTHCARE LTD (GB) 2011-08-31 EP disclosed
EP-2360211-A1 Fluorescently-labelled target components GE Healthcare Limited (GB) 2011-08-24 EP disclosed
EP-2270106-A2 Indolium compounds containing fluoro-substituents GE Healthcare UK Limited (GB) 2011-01-05 EP disclosed
US-20100267937-A1 Cyanine Dye Labelling Reagents WEST RICHARD M 2010-10-21 US disclosed
US-20100249385-A1 WATER-SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS GE HEALTHCARE UK LIMITED (GB) 2010-09-30 US disclosed
US-7767829-B2 Water-soluble fluoro-substituted cyanine dyes as reactive fluorescence labelling reagents GE HEALTHCARE UK LIMITED (GB) 2010-08-03 US disclosed
US-7750163-B2 Cyanine dye labelling reagents GE Healthcare U.K. Limited (GB) 2010-07-06 US disclosed
US-20100015054-A1 FLUORO-SUBSTITUTED BENZOXAZOLE POLYMETHINE DYES GE HEALTHCARE UK LIMITED (GB) 2010-01-21 US disclosed
WO-2008040994-A2 FLUORO-SUBSTITUTED BENZOXAZOLE POLYMETHINE DYES GE HEALTHCARE UK LIMITED (GB) 2008-04-10 WO disclosed
WO-2008015415-A2 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES GE HEALTHCARE AS (NO) 2008-02-07 WO disclosed
EP-1874871-A1 WATER SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS GE Healthcare UK Limited (GB) 2008-01-09 EP disclosed
US-20070203343-A1 Cyanine Dye Labelling Reagents GE HEALTHCARE UK LIMITED (GB) 2007-08-30 US disclosed
US-7172907-B2 Cyanine dye labelling reagents with meso-substitution GE HEALTHCARE BIO-SCIENCES CORP. (US) 2007-02-06 US disclosed
US-20060239922-A1 WATER-SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS GE HEALTHCARE UK LIMITED (GB) 2006-10-26 US disclosed
WO-2006111726-A1 WATER SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS GE HEALTHCARE UK LIMITED (GB) 2006-10-26 WO disclosed
EP-1678258-A1 CYANINE DYE LABELLING REAGENTS GE Healthcare Limited (GB) 2006-07-12 EP disclosed
WO-2005044923-A1 CYANINE DYE LABELLING REAGENTS GE HEALTHCARE LIMITED (GB) 2005-05-19 WO disclosed
US-20040186278-A1 Cyanine dye labelling reagents with meso-substitution GLOBAL LIFE SCIENCES SOLUTIONS USA LLC 2004-09-23 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 (6 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-20060239922-A1 WATER-SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS TPD52L2, MRPL21, MRPL9 KMT2A 3156/4885ALDH1A1 2125/4885NPC1 4332/4885
US-20070203343-A1 Cyanine Dye Labelling Reagents IK, H1-5, H1-3 KMT2A 1319/4885ALDH1A1 4348/4885NPC1 4718/4885
US-20100267937-A1 Cyanine Dye Labelling Reagents IK, H1-5, H1-3 KMT2A 1202/4885ALDH1A1 4309/4885NPC1 4730/4885
US-20100015054-A1 FLUORO-SUBSTITUTED BENZOXAZOLE POLYMETHINE DYES QRFPR, MSR1, NPY1R KMT2A 2414/4885ALDH1A1 3683/4885NPC1 4692/4885
US-20100249385-A1 WATER-SOLUBLE FLUORO-SUBSTITUTED CYANINE DYES AS REACTIVE FLUORESCENCE LABELLING REAGENTS TPD52L2, MRPL9, MRPL21 KMT2A 3165/4885ALDH1A1 2134/4885NPC1 4310/4885
US-20040186278-A1 Cyanine dye labelling reagents with meso-substitution HCCS, CBR3, CYCS KMT2A 2010/4885ALDH1A1 2632/4885NPC1 3118/4885

“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.