SCHEMBL4856328

SCHEMBL4856328

CC1=Nc2c(ccc3ccccc23)C1(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
THRB P10828 2/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
CYP2A6 P11509 4/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 3/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPRT1 P00492 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
Iodide SCHEMBL29763642 0.98 MEN1 (0.54) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL28795459 0.92 KMT2A (0.49) MEN1KMT2AMAPTKDM4ETDP1
Iodide SCHEMBL28795288 0.81 HTR2A (0.42) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL19978239 0.75 MAPT (0.47) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL19978240 0.75 KDM4E (0.55) MEN1KMT2AMAPTKDM4ETDP1
SCHEMBL19978243 0.72 GPR3 (0.39) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL19978284 0.72 NQO2 (0.40) MEN1KMT2A
SCHEMBL29499501 0.71 MEN1 (1.00) MEN1KMT2AMAPTKDM4ETDP1
Iodide SCHEMBL22542621 0.70 MEN1 (0.97) MEN1KMT2AMAPTKDM4ETDP1
Hydrochloric Acid SCHEMBL22321960 0.70 MEN1 (0.97) MEN1KMT2AMAPTKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118026914-A Benzondole derivative and preparation method and application thereof 河南省科学院化学研究所有限公司 2024-05-14 CN claimed
CN-118005556-A COX-2 targeted inhibition photosensitizer capable of activating tumor cell apoptosis and preparation method and application thereof 大连理工大学 2024-05-10 CN claimed
CN-113956190-B Cell targeting photosensitizer capable of activating tumor cell apoptosis and preparation method and application thereof 大连理工大学 2023-05-02 CN claimed
CN-114437053-A Nano probe and application thereof in detecting superoxide anion in Golgi apparatus 山东师范大学 2022-05-06 CN claimed
CN-109776390-B Preparation method and application of fluorescence molecular probe for detecting glutathione mercaptotransferase 滨州医学院 2022-04-12 CN claimed
CN-113956190-A Organelle targeted photosensitizer capable of activating tumor cell apoptosis and preparation method and application thereof 大连理工大学 2022-01-21 CN claimed
CN-109020955-B Molecular probe, preparation method and application thereof 深圳大学 2021-08-17 CN claimed
CN-107814796-B Environment-sensitive dye based on benzofurazan and preparation method and application thereof 湖南大学 2020-10-02 CN claimed
US-20170056376-A1 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+ACTIVATED K+ CHANNEL KCa3.1 AND THEIR METHODS OF USE UNIV CALIFORNIA (US) 2017-03-02 US claimed
WO-2015164816-A2 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+-ACTIVATED K+ CHANNEL KCA3.1 AND THEIR METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 WO claimed
US-6919333-B2 Bis-transition-metal-chelate probes RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2005-07-19 US claimed
WO-2005029075-A1 BIS-TRANSITION-METAL-CHELATE PROBES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2005-03-31 WO claimed
EP-1506402-A2 BIS-TRANSITION-METAL-CHELATE-PROBES Rutgers, The State University of New Jersey (US) 2005-02-16 EP claimed
US-20040096887-A1 Bis-transition-metal-chelate probes RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-05-20 US claimed
US-20040019104-A1 Reagents and procedures for high-specificity labeling RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-01-29 US claimed
WO-2003107010-A1 REAGENTS AND PROCEDURES FOR HIGH-SPECIFICITY LABELING RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2003-12-24 WO claimed
WO-2003091689-A2 BIS-TRANSITION-METAL-CHELATE-PROBES RUTGERS, THE STATE OF UNIVERSITY OF NEW JERSEY (US) 2003-11-06 WO claimed
US-12629356-B2 Expansion of tumor infiltrating lymphocytes with potassium channel agonists and therapeutic uses thereof IOVANCE BIOTHERAPEUTICS, INC. (US) 2026-05-19 US disclosed
EP-0358774-A1 NOVEL SPIROOXAZINE COMPOUNDS TORAY INDUSTRIES, INC. (JP) 1990-03-21 EP disclosed
US-3975379-A METHINE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 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-12629356-B2 Expansion of tumor infiltrating lymphocytes with potassium channel agonists and therapeutic uses thereof PBK, IL2, KCNN3 MEN1 3761/4885KMT2A 389/4885MAPT 2417/4885
US-20040096887-A1 Bis-transition-metal-chelate probes SCO2, CDY1; CDY1B, PYM1 MEN1 1625/4885KMT2A 2625/4885MAPT 2324/4885
US-20040019104-A1 Reagents and procedures for high-specificity labeling AS3MT, SRMS, HNRNPH3 MEN1 4142/4885KMT2A 1387/4885MAPT 1609/4885
US-20170056376-A1 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+ACTIVATED K+ CHANNEL KCa3.1 AND THEIR METHODS OF USE KCNN3, KCNN1, KCNN2 MEN1 2560/4885KMT2A 1602/4885MAPT 4633/4885

“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.