SCHEMBL21617101

SCHEMBL21617101

CC(C)CCNC(=O)c1ccccc1Nc1ccc(C(=O)Nc2ncccn2)cc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NAMPT P43490 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ NR1H4 Q96RI1 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
SCHEMBL31611960 1.00 KMT2A (0.43) KMT2APKMALDH1A1HTTNAMPT
SCHEMBL21617111 0.86 PKM (0.38) PKMLMNANR1H4
SCHEMBL28618751 0.82 KMT2A (0.39) KMT2AALDH1A1HTTNAMPTMEN1
SCHEMBL22899612 0.81 SMN1; SMN2 (0.38) KMT2APKMALDH1A1HTTNAMPT
SCHEMBL29486220 0.81 SMN1; SMN2 (0.38) KMT2APKMALDH1A1HTTNAMPT
SCHEMBL21616999 0.80 SMN1; SMN2 (0.36) KMT2APKMALDH1A1HTTNAMPT
SCHEMBL31504370 0.80 CNR2 (0.42) KMT2AALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL21617159 0.80 CNR2 (0.42) KMT2AALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30511547 0.80 SMN1; SMN2 (0.36) KMT2APKMALDH1A1HTTNAMPT
SCHEMBL29486146 0.78 SMN1; SMN2 (0.41) KMT2AALDH1A1MEN1HPGDNPC1

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
US-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection ABIVAX (FR) 2023-08-29 — — US disclosed
US-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection ABIVAX (FR) 2023-08-29 — — US disclosed
US-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection ABIVAX (FR) 2023-08-29 — — US disclosed
US-20210300871-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-09-30 — — US disclosed
US-20210300871-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-09-30 — — US disclosed
EP-3820848-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-05-19 — — EP disclosed
CN-112703183-A aryl-N-aryl derivatives for the treatment of RNA viral infections ABIVAX公司 2021-04-23 — — CN disclosed
WO-2020011811-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2020-01-16 — — WO disclosed
WO-2020011811-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2020-01-16 — — 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 (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-20210300871-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION HAVCR2, CBR3, C1R KMT2A 2616/4885PKM 3365/4885ALDH1A1 2537/4885
US-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection HAVCR2, CBR3, C1R KMT2A 2616/4885PKM 3365/4885ALDH1A1 2537/4885

“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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