SCHEMBL998879

SCHEMBL998879

CC=CC=CNc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 7/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDM4E B2RXH2 4/20 0.39
TSHR P16473 2/20 0.39
IDO1 P14902 1/20 0.39
ADRB2 P07550 1/20 0.39
TDP1 Q9NUW8 4/20 0.36
HSD17B10 Q99714 2/20 0.36
CTSD P07339 1/20 0.36
ALOX15 P16050 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALOX12 P18054 1/20 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
SCHEMBL19530361 1.00 KMT2A (0.53) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20881023 1.00 KMT2A (0.53) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL997093 0.98 KMT2A (0.52) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6259235 0.85 ALDH1A1 (0.52) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5569513 0.85 ALDH1A1 (0.52) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18779752 0.85 ALDH1A1 (0.52) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
Benzene SCHEMBL10426584 0.85 ALDH1A1 (0.52) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28544957 0.83 ALDH1A1 (0.50) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20059341 0.83 DHODH (0.43) KMT2AALDH1A1NPC1SMN1; SMN2NFKB1
SCHEMBL22808244 0.77 KMT2A (0.53) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117826-A1 COMPOUNDS AND COMPOSITIONS FOR RETINAL INJURY DETECTION AND METHODS OF USING SAME MOLECULAR TARGETING TECHNOLOGIES, INC. 2023-04-20 US disclosed
WO-2021158219-A1 COMPOUNDS AND COMPOSITIONS FOR RETINAL INJURY DETECTION AND METHODS OF USING SAME MOLECULAR TARGETING TECHNOLOGIES, INC. (US) 2021-08-12 WO disclosed
EP-2850061-B1 HALOGENATED INDOLE DERIVATIVES FOR PHOTODYNAMIC THERAPY NANOQUANTUM SCIENCES INC (US) 2020-09-16 EP disclosed
EP-2983677-A1 PHOTO-RESPONSIVE COMPOUNDS The University Of North Carolina At Chapel Hill (US) 2016-02-17 EP disclosed
EP-2850061-A2 HALOGENATED COMPOUNDS FOR PHOTODYNAMIC THERAPY Nanoquantum Sciences Inc. (US) 2015-03-25 EP disclosed
WO-2014168950-A1 PHOTO-RESPONSIVE COMPOUNDS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-10-16 WO disclosed
WO-2013134081-A2 HALOGENATED COMPOUNDS FOR PHOTODYNAMIC THERAPY NANOQUANTUM SCIENCES. INC. (US) 2013-09-12 WO disclosed
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
US-7750163-B2 Cyanine dye labelling reagents GE Healthcare U.K. Limited (GB) 2010-07-06 US 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-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-20040047806-A1 Unsymmetrical methine and polymethine dye-molecules for fluorescent intracellular applications THEODOROPULOS SPYROS (US) 2004-03-11 US disclosed
US-5948608-A CONTAINING CYANINE DYE FUJI PHOTO FILM CO., LTD. (JP) 1999-09-07 US disclosed
US-5723617-A Pyrrolo 2,1-a!isoquinoline dyes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-03 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-20040047806-A1 Unsymmetrical methine and polymethine dye-molecules for fluorescent intracellular applications MTHFD1, CNDP2, SHMT1 KMT2A 3381/4885ALDH1A1 2617/4885NPC1 2622/4885
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-20230117826-A1 COMPOUNDS AND COMPOSITIONS FOR RETINAL INJURY DETECTION AND METHODS OF USING SAME ALDH1A2, PDE6C, ALDH1A3 KMT2A 4181/4885ALDH1A1 93/4885NPC1 2583/4885

“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.