SCHEMBL732445

SCHEMBL732445

CN1CCN(c2ccc(C(=S)NN)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.47
HDAC2 Q92769 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C18 P33260 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 2/20 0.42
ADRA2C P18825 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PTK2B Q14289 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GFER P55789 1/20 0.42
ESR2 Q92731 1/20 0.42
HTR3A P46098 1/20 0.40
CHEK1 O14757 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
FYN P06241 1/20 0.39

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
SCHEMBL732967 0.83 HDAC3 (0.58) HDAC3HDAC2CYP1A2CYP2C18CYP2C19
SCHEMBL733405 0.81 HDAC3 (0.43) HDAC3HDAC2CYP1A2CYP2C18CYP2C19
SCHEMBL20207616 0.76 HDAC3 (0.46) HDAC3HDAC2CYP1A2CYP2C18CYP2C19
SCHEMBL63616 0.76 HDAC3 (0.54) HDAC3HDAC2CYP1A2CYP2C18CYP2C19
SCHEMBL22159239 0.76 HDAC3 (0.51) HDAC3HDAC2CYP1A2CYP2C18CYP2C19
SCHEMBL64453 0.75 HRH3 (0.54) HDAC3HDAC2CYP1A2CYP2C18CYP2C19
SCHEMBL20132431 0.75 HDAC3 (0.57) HDAC3HDAC2CYP1A2CYP2C18CYP2C19
SCHEMBL25693065 0.75 HDAC3 (0.57) HDAC3HDAC2CYP1A2CYP2C18CYP2C19
SCHEMBL28314039 0.75 HDAC3 (0.53) HDAC3HDAC2CYP1A2CYP2C18CYP2C19
Lithium Ion SCHEMBL20163088 0.74 HDAC3 (0.49) HDAC3HDAC2CYP1A2CYP2C18CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3023426-A1 THIOSEMICARBAZONE INHIBITOR COMPOUNDS AND CANCER TREATMENT METHODS Critical Outcome Technologies, Inc. (CA) 2016-05-25 EP disclosed
US-9284275-B2 Inhibitor compounds and cancer treatment methods CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2016-03-15 US disclosed
EP-2318406-B1 THIOSEMICARBAZONE INHIBITOR COMPOUNDS AND CANCER TREATMENT METHODS CRITICAL OUTCOME TECHNOLOGIES INC (CA) 2016-01-27 EP disclosed
EP-2121681-B1 COMPOUNDS AND METHOD FOR TREATMENT OF CANCER CRITICAL OUTCOME TECHNOLOGIES INC (CA) 2015-04-15 EP disclosed
US-8822475-B2 Compounds and method for treatment of cancer CRITICAL OUTCOME TECHNOLOGIES, INC. (CA) 2014-09-02 US disclosed
US-8822475-B2 Compounds and method for treatment of cancer CRITICAL OUTCOME TECHNOLOGIES, INC. (CA) 2014-09-02 US disclosed
US-20140072555-A1 Inhibitor Compounds and Cancer Treatment Methods CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2014-03-13 US disclosed
US-20140072555-A1 Inhibitor Compounds and Cancer Treatment Methods CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2014-03-13 US disclosed
US-8580792-B2 Inhibitor compounds and cancer treatment methods CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2013-11-12 US disclosed
US-8580792-B2 Inhibitor compounds and cancer treatment methods CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2013-11-12 US disclosed
US-8138191-B2 Inhibitor compounds and cancer treatment methods CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2012-03-20 US disclosed
US-20110281887-A1 COMPOUNDS AND METHOD FOR TREATMENT OF CANCER CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2011-11-17 US disclosed
US-20110281887-A1 COMPOUNDS AND METHOD FOR TREATMENT OF CANCER CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2011-11-17 US disclosed
US-8034815-B2 Imidazol-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-methanethione; Critical Outcome Technologies' Iead compound (COTI); kinase inhibitor; anticarcinogenic agent; especially small cell lung cancer; cervical, ovarian, skin, prostate, breast, colorectal, head, neck, or kidney cancer, sarcoma, leukemia CRITICAL OUTCOME TECHNOLOGIES, INC. (CA) 2011-10-11 US disclosed
WO-2010006438-A1 THIOSEMICARBAZONE INHIBITOR COMPOUNDS AND CANCER TREATMENT METHODS CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2010-01-21 WO disclosed
US-20100015140-A1 Inhibitor Compounds and Cancer Treatment Methods CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2010-01-21 US disclosed
US-20100015140-A1 Inhibitor Compounds and Cancer Treatment Methods CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2010-01-21 US disclosed
WO-2008083491-A1 COMPOUNDS AND METHOD FOR TREATMENT OF CANCER CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2008-07-17 WO disclosed
US-20080171744-A1 COMPOUNDS AND METHOD FOR TREATMENT OF CANCER 6441513 CANADA INC. (CA) 2008-07-17 US disclosed
US-20080171744-A1 COMPOUNDS AND METHOD FOR TREATMENT OF CANCER 6441513 CANADA INC. (CA) 2008-07-17 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-20080171744-A1 COMPOUNDS AND METHOD FOR TREATMENT OF CANCER SLC6A6, SLCO1B3, SLC5A1 HDAC3 478/4885HDAC2 1318/4885CYP1A2 634/4885
US-20110281887-A1 COMPOUNDS AND METHOD FOR TREATMENT OF CANCER TBCA, SLC6A6, SLC5A1 HDAC3 377/4885HDAC2 1160/4885CYP1A2 553/4885
US-20100015140-A1 Inhibitor Compounds and Cancer Treatment Methods MTOR, RICTOR, RPTOR HDAC3 1121/4885HDAC2 274/4885CYP1A2 3990/4885
US-20140072555-A1 Inhibitor Compounds and Cancer Treatment Methods MTOR, RICTOR, RPTOR HDAC3 1121/4885HDAC2 274/4885CYP1A2 3990/4885

“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.