SCHEMBL10078824

SCHEMBL10078824

C=C/C=C/C=C/Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 6/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IDO1 P14902 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
TGM2 P21980 1/20 0.36
TDP1 Q9NUW8 4/20 0.35
HSD17B10 Q99714 2/20 0.35
CTSD P07339 1/20 0.35
ADRB2 P07550 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
SCHEMBL13103343 1.00 KMT2A (0.56) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL100984 0.91 KMT2A (0.50) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL27647042 0.91 KMT2A (0.50) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL20613616 0.88 KMT2A (0.46) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL25486009 0.77 MAOB (0.58) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL22808244 0.76 KMT2A (0.53) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL20881023 0.76 KMT2A (0.53) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL998879 0.76 KMT2A (0.53) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL16167075 0.76 KMT2A (0.53) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL19530361 0.76 KMT2A (0.53) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957392-B2 Fluorescent probe for imaging lymph nodes EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-01 US disclosed
US-9872833-B2 Liposome composite body NATIONAL UNIVERSITY CORPORATION TOTTORI UNIVERSITY (JP) 2018-01-23 US disclosed
US-20160222212-A1 Asulfonate Discrete PEG Based Dyes EQUIP, LLC (US) 2016-08-04 US disclosed
US-20160222211-A1 Fluorescent Probe for Imaging Lymph Nodes NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2016-08-04 US disclosed
US-9302018-B2 Fluorescent probe for imaging lymph nodes EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-04-05 US disclosed
US-9095612-B2 Halogenated compounds for photodynamic therapy NANOQUANTUM SCIENCES, INC. (US) 2015-08-04 US disclosed
US-20150073154-A1 Discrete PEG Based Dyes EQUIP, LLC (US) 2015-03-12 US disclosed
US-20140369935-A1 LIPOSOME COMPOSITE BODY NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2014-12-18 US disclosed
US-8663990-B2 Measurement method utilizing internal standard substance WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-04 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-20130129631-A1 Fluorescent Probe for Imaging Lymph Nodes NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2013-05-23 US disclosed
US-20130121926-A1 DYE COMPOSITIONS AND DYE SYNTHESES GE HEALTHCARE AS (NO) 2013-05-16 US disclosed
US-20120043207-A1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 US disclosed
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 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 (5 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-20130129631-A1 Fluorescent Probe for Imaging Lymph Nodes PLIN5, LIPA, LY6K KMT2A 3994/4885ALDH1A1 2279/4885NPC1 50/4885
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION SLC43A1, HCN4, SLC7A5 KMT2A 3230/4885ALDH1A1 1828/4885NPC1 2440/4885
US-20160222211-A1 Fluorescent Probe for Imaging Lymph Nodes PLIN5, LIPA, LY6K KMT2A 3994/4885ALDH1A1 2279/4885NPC1 50/4885
US-20150073154-A1 Discrete PEG Based Dyes MKI67, MUC1, TP53 KMT2A 4642/4885ALDH1A1 958/4885NPC1 1923/4885
US-20140369935-A1 LIPOSOME COMPOSITE BODY PLIN5, LIPA, NPC1L1 KMT2A 4081/4885ALDH1A1 1705/4885NPC1 94/4885

“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.