SCHEMBL24512430

SCHEMBL24512430

C/C(=N\N=C(\SC(C)C)N(C)C)c1cc(OCCN2CCOCC2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAOA P21397 1/20 0.40
▸ CSF1R P07333 2/20 0.39
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ACACB O00763 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ RAD52 P43351 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
SCHEMBL22589681 0.77 NPC1 (0.46) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL22589668 0.75 KDM4E (0.59) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL29743151 0.73 NPC1 (0.46) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL22589672 0.72 NPC1 (0.48) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL31372502 0.66 KDM4E (0.58) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL29615193 0.66 KDM4E (0.58) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL15260226 0.66 KDM4E (0.66) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL2024990 0.66 KDM4E (0.58) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL10223315 0.64 MEN1 (0.62) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL22589678 0.63 KDM4E (0.58) MEN1KMT2ANPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185827-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-06-16 — — 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 (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-20220185827-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS SLC30A5, SLC39A11, SLC30A7 MEN1 364/4885KMT2A 833/4885NPC1 133/4885

“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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