Aptiganel

Aptiganel

SCHEMBL21775476

CCc1cccc(N(C)/C(N)=N/c2cccc3ccccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 1.00
TP53 P04637 1/20 1.00
CYP2D6 P10635 1/20 1.00
TSHR P16473 1/20 1.00
THPO P40225 1/20 1.00
MTOR P42345 1/20 1.00
MEN1 O00255 1/20 0.98
LMNA P02545 1/20 0.98
MAPT P10636 1/20 0.98
PMP22 Q01453 1/20 0.98
KMT2A Q03164 1/20 0.98
TDP1 Q9NUW8 1/20 0.98

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
Aptiganel SCHEMBL30416816 1.00 SIGMAR1 (1.00) SIGMAR1TP53CYP2D6TSHRTHPO
Aptiganel SCHEMBL30481113 1.00 SIGMAR1 (1.00) SIGMAR1TP53CYP2D6TSHRTHPO
Aptiganel SCHEMBL151145 1.00 SIGMAR1 (1.00) SIGMAR1TP53CYP2D6TSHRTHPO
Aptiganel SCHEMBL7414862 0.99 SIGMAR1 (1.00) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6719553 0.86 SIGMAR1 (1.00) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6727461 0.84 SIGMAR1 (0.73) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6719522 0.84 SIGMAR1 (1.00) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL16887967 0.83 SIGMAR1 (0.71) SIGMAR1TP53CYP2D6TSHRTHPO
Hydrochloric Acid SCHEMBL7412867 0.82 SIGMAR1 (0.97) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6728156 0.81 SIGMAR1 (1.00) SIGMAR1TP53CYP2D6TSHRTHPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN claimed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US claimed
CN-110831584-A Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2020-02-21 CN claimed
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 US disclosed
US-20220296586-A1 NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Vepachedu, Sreenivasarao (US) 2022-09-22 US disclosed
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 US disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US disclosed
CN-110831584-A Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2020-02-21 CN 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 SIGMAR1 102/4885TP53 3271/4885CYP2D6 9/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 SIGMAR1 102/4885TP53 3271/4885CYP2D6 9/4885
US-20220296586-A1 NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF CYP2D6, HTR2A, CYP3A43 SIGMAR1 203/4885TP53 2764/4885CYP2D6 1/4885
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A SIGMAR1 94/4885TP53 3574/4885CYP2D6 17/4885

“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.