SCHEMBL25847430

SCHEMBL25847430

CCNS(=O)(=O)c1ccnc(CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ VCAM1 P19320 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL24221428 0.77 CYP1A2 (0.46) ALDH1A1CYP3A4CYP2D6PSEN1PSEN2
SCHEMBL22618921 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2CYP2C9MEN1KMT2A
SCHEMBL11511836 0.71 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2VCAM1CYP2C9CA1
SCHEMBL25847433 0.70 NOS3 (0.44) ALDH1A1SMN1; SMN2CYP2C9MEN1KMT2A
SCHEMBL13181463 0.69 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2VCAM1CYP2C9CA1
SCHEMBL3055959 0.69 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2VCAM1CYP2C9CA1
SCHEMBL22031407 0.68 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP2C9CYP3A4CYP2D6
SCHEMBL12181468 0.67 ALDH1A1 (0.68) ALDH1A1CYP2C9CA2MEN1KMT2A
SCHEMBL7030147 0.67 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2VCAM1CYP2C9CA1
SCHEMBL350324 0.67 KMT2A (0.77) ALDH1A1MEN1KMT2A

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 — — 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA ALDH1A1 3871/4885SMN1; SMN2 2169/4885VCAM1 3868/4885

“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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