SCHEMBL5457322

SCHEMBL5457322

O=C(NC(=S)NCc1ccccn1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.76
▸ KDM4E B2RXH2 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ MITF O75030 1/20 0.64
▸ NPC1 O15118 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ POLB P06746 2/20 0.62
▸ PKM P14618 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAPK14 Q16539 1/20 0.58
▸ ALOX12 P18054 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ RECQL P46063 1/20 0.57
▸ GAA P10253 1/20 0.56

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
SCHEMBL14859717 0.89 KMT2A (0.66) RAB9AKDM4EALDH1A1NPC1LMNA
SCHEMBL14859669 0.87 ALDH1A1 (0.63) RAB9AALDH1A1NPC1LMNAPOLB
SCHEMBL14860407 0.86 RAB9A (1.00) RAB9AKDM4EALDH1A1MITFNPC1
SCHEMBL5444784 0.85 RAB9A (0.66) RAB9AALDH1A1NPC1LMNAPOLB
SCHEMBL166484 0.85 LMNA (0.82) RAB9AKDM4EALDH1A1NPC1LMNA
Hydrochloric Acid SCHEMBL27843329 0.83 LMNA (0.80) RAB9AKDM4EALDH1A1NPC1LMNA
SCHEMBL9859901 0.81 SMN1; SMN2 (0.67) RAB9AALDH1A1NPC1LMNANPSR1
SCHEMBL4030184 0.80 RAB9A (0.63) RAB9AKDM4EALDH1A1NPC1LMNA
SCHEMBL1743418 0.79 SMN1; SMN2 (0.59) RAB9AKDM4EALDH1A1NPC1LMNA
SCHEMBL14096444 0.79 ALDH1A1 (1.00) KDM4EALDH1A1MITFNPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 — — US disclosed
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITA DEGLE STUDI DI SIENA (IT) 2021-03-11 — — US disclosed
EP-3765454-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF Universita' Degli Studi di Siena (IT) 2021-01-20 — — EP disclosed
WO-2019175436-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2019-09-19 — — WO disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 — — 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-11814366-B2 Antiviral compounds and use thereof MAVS, EIF2AK2, SARS1 RAB9A 1894/4885KDM4E 2361/4885ALDH1A1 2154/4885
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, EIF2AK2, SARS1 RAB9A 1894/4885KDM4E 2361/4885ALDH1A1 2154/4885

“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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