SCHEMBL21623433

SCHEMBL21623433

O=C(CCC1CCCCC1)Nc1cccc(Nc2ccc(OCc3ccccn3)cc2C2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ RHOA P61586 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ LDLR P01130 4/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 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
SCHEMBL21617169 0.89 PRMT3 (0.45) KMT2AMEN1HPGDSMN1; SMN2RHOA
SCHEMBL21617157 0.86 HPGD (0.48) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL31504354 0.86 HPGD (0.48) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL21617168 0.84 ALDH1A1 (0.47) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL31504358 0.84 HPGD (0.40) KMT2AMEN1HPGDRHOARAB9A
SCHEMBL21617185 0.84 HPGD (0.40) KMT2AMEN1HPGDRHOARAB9A
SCHEMBL31504397 0.84 SIRT2 (0.40) KMT2AMEN1HPGDRHOANPC1
SCHEMBL21617268 0.84 SIRT2 (0.40) KMT2AMEN1HPGDRHOANPC1
SCHEMBL21617284 0.83 F10 (0.47) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL21617246 0.83 BRD4 (0.40) KMT2AMEN1HPGDRHOALDLR

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-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-04-29 — — US disclosed
WO-2020011816-A1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL 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 (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-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION NSUN3, CBR3, C1R KMT2A 2374/4885MEN1 3986/4885HPGD 3998/4885

“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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