SCHEMBL4018923

SCHEMBL4018923

[S]CCNCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SLC2A4 P14672 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL29444840 0.86 MEN1 (0.56) ALDH1A1CYP3A4CYP2D6KDM4EGLA
SCHEMBL4716095 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2D6KDM4EGLA
Gapicomine SCHEMBL1037773 0.81 SLC2A4 (0.61) ALDH1A1CYP3A4CYP2D6CYP2C19SLC2A4
SCHEMBL1659835 0.80 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2D6KDM4EGLA
Gapicomine SCHEMBL9336954 0.79 SLC2A4 (0.59) ALDH1A1CYP3A4CYP2D6SLC2A4MEN1
SCHEMBL10054983 0.79 SLC2A4 (0.59) ALDH1A1CYP2D6KDM4EGLASLC2A4
Gapicomine SCHEMBL6121683 0.79 SLC2A4 (0.59) ALDH1A1CYP3A4CYP2D6SLC2A4MEN1
SCHEMBL3976803 0.78 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2D6KDM4EGLA
SCHEMBL6831037 0.78 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2D6KDM4EGLA
SCHEMBL3741348 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2D6KDM4EGLA

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-7524823-B2 Macrolides BASILEA PHARMACEUTICA AG (CH) 2009-04-28 — — US disclosed
EP-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 — — EP disclosed
EP-1846430-A1 NEW MACROLIDES Basilea Pharmaceutica AG (CH) 2007-10-24 — — EP disclosed
US-20060264387-A1 Macrolides BASILEA PHARMACEUTICA AG (CH) 2006-11-23 — — US disclosed
WO-2006084410-A1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2006-08-17 — — 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-20060264387-A1 Macrolides PPME1, MGAM, SMPD1 ALDH1A1 3507/4885CYP3A4 689/4885CYP2D6 460/4885

“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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