Sugi Predict

Sugi Predict / Compounds / SCHEMBL100984

SCHEMBL100984

SCHEMBL100984

C=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 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ IDO1 P14902 2/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ TDP1 Q9NUW8 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CTSD P07339 1/20 0.38
▸ TSHR P16473 3/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ PTGS1 P23219 1/20 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
SCHEMBL27647042 1.00 KMT2A (0.50) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL10078824 0.91 KMT2A (0.56) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL13103343 0.91 KMT2A (0.56) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL20613616 0.80 KMT2A (0.46) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL223592 0.79 ALDH1A1 (0.60) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL223591 0.79 ALDH1A1 (0.60) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL16642045 0.76 KMT2A (0.50) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL1000894 0.76 KMT2A (0.50) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL138932 0.76 ALDH1A1 (0.58) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL1000895 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850061-B1 HALOGENATED INDOLE DERIVATIVES FOR PHOTODYNAMIC THERAPY NANOQUANTUM SCIENCES INC (US) 2020-09-16 — — EP disclosed
US-9920365-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2018-03-20 — — US disclosed
US-20170276611-A1 CHALCOGENOPYRYLIUM DYES, COMPOSITIONS COMPRISING SAME, COMPOSITE NANOPARTICLES COMPRISING SAME, AND METHODS OF MAKING AND USING THE SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2017-09-28 — — US disclosed
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 — — US disclosed
US-9441270-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-09-13 — — US disclosed
US-20150344950-A1 Functionalized Cyanine Dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-12-03 — — US disclosed
US-9051263-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-06-09 — — US disclosed
US-20150072894-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2015-03-12 — — US disclosed
US-8889886-B2 Cyanine dyes PACIFIC BIOSCIENCES, INC. (US) 2014-11-18 — — US disclosed
US-8669374-B2 Functionalized cyanine dyes (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2014-03-11 — — US disclosed
US-8546586-B2 Pyrazole-based cyanine dye containing quaternary ammonium cation WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 — — US disclosed
US-20130095040-A1 DYE COMPOSITIONS AND DYE SYNTHESES GE HEALTHCARE AS (NO) 2013-04-18 — — US disclosed
US-20120058469-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 — — US disclosed
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 — — US disclosed
US-20120052506-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 — — US disclosed
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 — — US disclosed
US-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS BIOSEARCH TECHNOLOGIES, INC. (US) 2011-12-01 — — US disclosed
US-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS BIOSEARCH TECHNOLOGIES, INC. (US) 2011-12-01 — — US disclosed
WO-2007098182-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2007-08-30 — — WO disclosed
US-20070021621-A1 Water soluble fluorescent compounds BIOSEARCH TECHNOLOGIES, INC. (US) 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 (7 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-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS ABCG2, AQP1, AQP3 KMT2A 3963/4885ALDH1A1 435/4885NPC1 119/4885
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION SLC43A1, HCN4, SLC7A5 KMT2A 3230/4885ALDH1A1 1828/4885NPC1 2440/4885
US-20120052506-A1 CYANINE DYES ABCG2, IK, ACR KMT2A 2564/4885ALDH1A1 1447/4885NPC1 2122/4885
US-20130095040-A1 DYE COMPOSITIONS AND DYE SYNTHESES CD47, CD99, CD68 KMT2A 3920/4885ALDH1A1 942/4885NPC1 4446/4885
US-20070021621-A1 Water soluble fluorescent compounds ABCG2, AQP1, AQP3 KMT2A 3963/4885ALDH1A1 435/4885NPC1 119/4885
US-20120058482-A1 FUNCTIONALIZED CYANINE DYES (PEG) ACR, IK, EGFR KMT2A 3543/4885ALDH1A1 1508/4885NPC1 1905/4885
US-20170276611-A1 CHALCOGENOPYRYLIUM DYES, COMPOSITIONS COMPRISING SAME, COMPOSITE NANOPARTICLES COMPRISING SAME, AND METHODS OF MAKING AND USING THE SAME C1S, C5, HCCS KMT2A 3922/4885ALDH1A1 3059/4885NPC1 408/4885

“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.