SCHEMBL4363476

SCHEMBL4363476

NCCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
TGM2 P21980 1/20 0.68
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KEAP1 Q14145 2/20 0.61
NFE2L2 Q16236 2/20 0.61
CPB1 P15086 1/20 0.58
CPB2 Q96IY4 1/20 0.58
DPP8 Q6V1X1 1/20 0.55
DPP7 Q9UHL4 1/20 0.55
FOLH1 Q04609 2/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SLC1A3 P43003 1/20 0.53
SLC1A1 P43005 1/20 0.53
ANPEP P15144 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ITGB3 P05106 3/20 0.52
ITGA2B P08514 3/20 0.52

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
SCHEMBL235394 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL2076614 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL7863455 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL29040497 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL29040501 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL19240717 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL3049211 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
Hydrochloric Acid SCHEMBL5279548 0.98 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
Hydrochloric Acid SCHEMBL6375520 0.98 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL335088 0.98 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2024-06-27 US disclosed
EP-4313051-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS Virginia Commonwealth University (US) 2024-02-07 EP disclosed
US-11833208-B2 PLK1 selective degradation inducing compound UPPTHERA, INC. (KR) 2023-12-05 US disclosed
US-20230372498-A1 PLK1 SELECTIVE DEGRADATION INDUCING COMPOUND UPPTHERA (KR) 2023-11-23 US disclosed
US-20230104076-A1 PLK1 Selective Degradation Inducing Compound UPPTHERA INC. (KR) 2023-04-06 US disclosed
WO-2022212471-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2022-10-06 WO disclosed
CN-113784969-A PLK1 Selective degradation inducing Compounds 厄普特拉公司 2021-12-10 CN disclosed
US-9107954-B2 Bivalent ligands for the treatment of neurological disorders VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-08-18 US disclosed
US-20150157730-A1 Bivalent Ligands for the Treatment of Neurological Disorders VIRGINIA COMMONWEALTH UNIVERSITY 2015-06-11 US disclosed
US-8946254-B2 Bivalent ligands for the treatment of neurological disorders VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-02-03 US disclosed
US-20140357656-A1 Bivalent Ligands for the Treatment of Neurological Disorders VIRGINIA COMMONWEALTH UNIVERSITY (US) 2014-12-04 US disclosed
WO-2013106528-A1 BIVALENT LIGANDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2013-07-18 WO disclosed
US-7589219-B2 2,5-bis-diamine-[1,4]benzoquinonic derivatives, useful for the treatment of alzheimer's disease, method for preparing them and intermediates of said method ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2009-09-15 US disclosed
US-20050261345-A1 2,5-Bis-diamine-'1,4! benzoquinone derivatives, for the treatment of alzheimer's disease a process for their preparation and intermediates therefor ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2005-11-24 US disclosed
EP-1497257-A1 2,5-BIS-DIAMINE-[1,4] BENZOQUINONE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE, A PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR Alma Mater Studiorum -Universita' di Bologna (IT) 2005-01-19 EP disclosed
WO-2003087035-A1 2,5-BIS-DIAMINE-'1,4! BENZOQUINONE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE A PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THEREFOR ALMA MATER STUDIORUM-UNIVERSITA' DI BOLOGNA (IT) 2003-10-23 WO disclosed
EP-0613483-A1 NEW LUPANE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1994-09-07 EP disclosed
WO-1993010142-A1 NEW LUPANE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1993-05-27 WO disclosed
EP-0542622-A1 New lupane derivatives, a process for their production and pharmaceutical compositions containing them Aventis Pharma S.A. (FR) 1993-05-19 EP 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-20050261345-A1 2,5-Bis-diamine-'1,4! benzoquinone derivatives, for the treatment of alzheimer's disease a process for their preparation and intermediates therefor PSEN2, BACE2, WEE2 HTT 714/4885TGM2 532/4885LMNA 1560/4885
US-20150157730-A1 Bivalent Ligands for the Treatment of Neurological Disorders CCR5, OPRM1, OPRK1 HTT 1300/4885TGM2 2826/4885LMNA 4714/4885
US-20230372498-A1 PLK1 SELECTIVE DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 HTT 2333/4885TGM2 2294/4885LMNA 2055/4885
US-20230104076-A1 PLK1 Selective Degradation Inducing Compound PLK1, BUB1B, BUB1 HTT 2333/4885TGM2 2294/4885LMNA 2055/4885
US-20140357656-A1 Bivalent Ligands for the Treatment of Neurological Disorders CCR5, OPRM1, OPRK1 HTT 1300/4885TGM2 2826/4885LMNA 4714/4885
US-20240208984-A1 BIVALENT LIGANDS TO UNDERSTAND DIMERIZATION OF THE MU OPIOID RECEPTOR AND THE CHEMOKINE RECEPTOR CCR5 IN NEUROLOGICAL DISORDERS OPRM1, OPRK1, CCR5 HTT 1569/4885TGM2 2998/4885LMNA 4122/4885
US-11833208-B2 PLK1 selective degradation inducing compound PLK1, BUB1B, BUB1 HTT 2333/4885TGM2 2294/4885LMNA 2055/4885

“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.