SCHEMBL3595414

SCHEMBL3595414

CCCNCCCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
DNM1 Q05193 4/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.50
PAOX Q6QHF9 2/20 0.48
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.37
PRMT3 O60678 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT1 Q99873 1/20 0.36
PRMT8 Q9NR22 1/20 0.36

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
SCHEMBL28199178 0.98 DNM1 (0.56) TDP1DNM1ALDH1A1TSHRPAOX
SCHEMBL9016901 0.93 DNM1 (0.65) TDP1DNM1ALDH1A1TSHRPAOX
SCHEMBL1757113 0.92 TDP1 (0.62) TDP1DNM1ALDH1A1TSHRPAOX
SCHEMBL756103 0.89 TDP1 (0.64) TDP1DNM1ALDH1A1TSHRPAOX
SCHEMBL24511377 0.88 DNM1 (0.64) TDP1DNM1ALDH1A1TSHRPAOX
SCHEMBL18402526 0.88 DNM1 (0.71) TDP1DNM1ALDH1A1TSHRPAOX
SCHEMBL16790267 0.88 DNM1 (0.64) TDP1DNM1ALDH1A1TSHRPAOX
SCHEMBL18871738 0.88 DNM1 (0.71) TDP1DNM1ALDH1A1TSHRPAOX
SCHEMBL759749 0.87 ALDH1A1 (0.65) TDP1DNM1ALDH1A1TSHRPAOX
SCHEMBL6747424 0.87 ALDH1A1 (0.65) TDP1DNM1ALDH1A1TSHRPAOX

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
EP-4634265-A1 POLYESTERS CLARIANT INTERNATIONAL LTD (CH) 2025-10-22 EP disclosed
WO-2024126303-A1 POLYESTERS CLARIANT INTERNATIONAL LTD (CH) 2024-06-20 WO disclosed
EP-3640246-B1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-11-01 EP disclosed
WO-2021127045-A1 COMBINATIONS RECURIUM IP HOLDINGS, LLC (US) 2021-06-24 WO disclosed
CN-107922294-A DEHYDROHALOGENATION OF HYDROCHLOROFLUOROCARBONS 科慕埃弗西有限公司 2018-04-17 CN disclosed
EP-1740559-B1 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
EP-1740559-B1 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
US-7847100-B2 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Inc. (US) 2010-12-07 US disclosed
US-7847100-B2 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Inc. (US) 2010-12-07 US disclosed
US-7847100-B2 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease Merck, Sharp & Dohme, Inc. (US) 2010-12-07 US disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 US disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 US disclosed
US-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-10-18 US disclosed
WO-2005103020-A1 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-11-03 WO 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 (1 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-20070244119-A1 1,3,5-Substituted Phenyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 TDP1 186/4885DNM1 557/4885ALDH1A1 989/4885

“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.