Sugi Predict

Sugi Predict / Compounds / SCHEMBL2685093

SCHEMBL2685093

SCHEMBL2685093

CC[N+]1=C(C)C(C)(C)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.62
▸ MAPT P10636 5/20 0.62
▸ MEN1 O00255 5/20 0.62
▸ LMNA P02545 5/20 0.62
▸ HTT P42858 5/20 0.62
▸ THRB P10828 4/20 0.62
▸ RECQL P46063 4/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ NPC1 O15118 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ S1PR2 O95136 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL29816480 1.00 KMT2A (0.62) KMT2AMAPTMEN1LMNAHTT
Iodide SCHEMBL29658781 0.98 MAPT (0.65) KMT2AMAPTMEN1LMNAHTT
Iodide SCHEMBL2320529 0.98 MAPT (0.65) KMT2AMAPTMEN1LMNAHTT
Bromide SCHEMBL31674705 0.98 MAPT (0.60) KMT2AMAPTMEN1LMNAHTT
SCHEMBL12056746 0.85 MAPT (0.46) KMT2AMAPTMEN1LMNAHTT
Iodide SCHEMBL1628062 0.84 MAPT (0.49) KMT2AMAPTMEN1LMNAHTT
Iodide SCHEMBL30594274 0.84 MAPT (0.49) KMT2AMAPTMEN1LMNAHTT
Bromide SCHEMBL18153296 0.84 MAPT (0.45) KMT2AMAPTMEN1LMNAHTT
SCHEMBL13645478 0.83 KMT2A (0.44) KMT2AMAPTMEN1LMNAHTT
SCHEMBL14811317 0.83 LMNA (0.56) KMT2AMAPTMEN1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112940519-A Light-stable heptamethine cyanine fluorescent dye and synthesis method and application thereof 中国科学院大连化学物理研究所 2021-06-11 — — CN claimed
CN-114940689-B Fluorescent probe for detecting mitochondrial temperature and preparation and application thereof 浙江工业大学 2024-06-11 — — CN disclosed
CN-114890915-B Mitochondrial targeting fluorescent probe for detecting temperature and preparation method and application thereof 浙江工业大学 2023-06-23 — — CN disclosed
CN-114940689-A Fluorescent probe for detecting mitochondrial temperature and preparation and application thereof 浙江工业大学 2022-08-26 — — CN disclosed
CN-114890915-A Mitochondrial targeting fluorescent probe for detecting temperature and preparation method and application thereof 浙江工业大学 2022-08-12 — — CN disclosed
US-20220178921-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL, INC. 2022-06-09 — — US disclosed
US-11193932-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof VISEN MEDICAL, INC. (US) 2021-12-07 — — US disclosed
CN-107903257-B Cyanine-based visible organic molecule fluorescent probe and preparation method thereof 华北电力大学 2020-09-11 — — CN disclosed
US-20200049709-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL, INC. 2020-02-13 — — US disclosed
US-10473658-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof VISEN MEDICAL, INC. (US) 2019-11-12 — — US disclosed
US-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES IGNATYEV NIKOLAI MYKOLA 2011-08-04 — — US disclosed
US-20100274023-A1 NOVEL INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES AGFA GRAPHICS NV (BE) 2010-10-28 — — US disclosed
US-20100136567-A1 CYANINE DYES BIOSEARCH TECHNOLOGIES, INC. (US) 2010-06-03 — — US disclosed
US-20100136567-A1 CYANINE DYES BIOSEARCH TECHNOLOGIES, INC. (US) 2010-06-03 — — US disclosed
US-7705150-B2 Cyanine dyes BIOSEARCH TECHNOLOGIES, INC. (US) 2010-04-27 — — US disclosed
US-7705150-B2 Cyanine dyes BIOSEARCH TECHNOLOGIES, INC. (US) 2010-04-27 — — US disclosed
US-7705150-B2 Cyanine dyes BIOSEARCH TECHNOLOGIES, INC. (US) 2010-04-27 — — US disclosed
WO-2009080689-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES AGFA GRAPHICS NV (BE) 2009-07-02 — — WO disclosed
WO-2008127139-A1 INDICYANINE DYES AND THE DERIVATIVES THEREOF FOR ANALYSING BIOLOGICAL MICROMOLECULES INSTITUT MOLEKULYARNOI BIOLOGII IM. V.A. ENGELDARDTA ROSSIISKOI AKADEMII NAUK (RU) 2008-10-23 — — WO disclosed
US-20050214833-A1 Cyanine dyes BIOSEARCH TECHNOLOGIES, INC. (US) 2005-09-29 — — 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 (8 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-20110190480-A1 CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES ZAP70, MYLK3, KIT KMT2A 823/4885MAPT 3351/4885MEN1 4104/4885
US-20100136567-A1 CYANINE DYES ACR, IK, TYR KMT2A 1512/4885MAPT 2150/4885MEN1 2085/4885
US-20050214833-A1 Cyanine dyes ACR, IK, TYR KMT2A 1512/4885MAPT 2150/4885MEN1 2085/4885
US-20200049709-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 KMT2A 2049/4885MAPT 1301/4885MEN1 1137/4885
US-20220178921-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 KMT2A 2049/4885MAPT 1301/4885MEN1 1137/4885
US-10473658-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof CPNE4, LIG4, S100A4 KMT2A 2049/4885MAPT 1301/4885MEN1 1137/4885
US-11193932-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof CPNE4, LIG4, S100A4 KMT2A 2049/4885MAPT 1301/4885MEN1 1137/4885
US-20100274023-A1 NOVEL INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES MB, MYADM, PYCR1 KMT2A 2891/4885MAPT 1989/4885MEN1 55/4885

“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.