SCHEMBL22822035

SCHEMBL22822035

COc1ccc(NC(=O)N(C)CC2[C@@H](c3ccc(C#Cc4ccccc4)cc3)C(CO)N2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 13/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NLRP3 Q96P20 1/20 0.45
▸ NPY5R Q15761 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ PTGES O14684 1/20 0.40

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
SCHEMBL20758346 1.00 PAX8 (0.53) PAX8KCNH2MEN1NPC1POLB
SCHEMBL16712702 1.00 PAX8 (0.53) PAX8KCNH2MEN1NPC1POLB
SCHEMBL18125117 1.00 PAX8 (0.53) PAX8KCNH2MEN1NPC1POLB
SCHEMBL24449479 0.75 PAX8 (0.48) PAX8KCNH2MEN1NPC1POLB
SCHEMBL24022488 0.75 PAX8 (0.48) PAX8KCNH2MEN1NPC1POLB
SCHEMBL25988749 0.74 KCNH2 (0.47) PAX8KCNH2MEN1NPC1POLB
SCHEMBL24450182 0.74 KCNH2 (0.51) PAX8KCNH2MEN1NPC1POLB
SCHEMBL24450176 0.73 KCNH2 (0.52) PAX8KCNH2MEN1NPC1POLB
SCHEMBL22822021 0.72 PAX8 (0.41) PAX8KCNH2MEN1NPC1POLB
SCHEMBL24450180 0.72 KCNH2 (0.51) PAX8KCNH2MEN1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11325913-B2 Compounds and methods for the treatment of malaria THE BROAD INSTITUTE, INC. (US) 2022-05-10 — — US disclosed
US-20200399276-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA THE BROAD INSTITUTE, INC. (US) 2020-12-24 — — 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 (2 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-11325913-B2 Compounds and methods for the treatment of malaria G6PD, CYP11B2, GLS2 PAX8 4740/4885KCNH2 2910/4885MEN1 1899/4885
US-20200399276-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA G6PD, CYP11B2, GLS2 PAX8 4740/4885KCNH2 2910/4885MEN1 1899/4885

“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.

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