SCHEMBL30175827

SCHEMBL30175827

COc1ccc(C2CC=NN2C(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RIPK1 Q13546 6/20 0.51
▸ PKM P14618 1/20 0.51
▸ EGFR P00533 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ PTGS2 P35354 1/20 0.49

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
SCHEMBL18248250 0.85 RIPK1 (0.73) RAB9ANPC1SMN1; SMN2RIPK1
SCHEMBL30175822 0.85 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30175857 0.82 RIPK1 (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30175855 0.82 RIPK1 (0.54) RIPK1EGFRKDM4EALDH1A1
SCHEMBL30175812 0.82 RIPK1 (0.72) RAB9ANPC1SMN1; SMN2MAOAMAOB
SCHEMBL24351038 0.81 RIPK1 (0.70) RIPK1
SCHEMBL23808149 0.81 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MAOAMAOB
SCHEMBL30175816 0.79 RIPK1 (0.77) RIPK1
SCHEMBL9377762 0.78 RIPK1 (0.74) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30175846 0.71 RAD51 (0.46) RIPK1

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-20230052747-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS TES PHARMA S.R.L. (IT) 2023-02-16 — — 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-20230052747-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS RAD51, BRCA1, FANCI RAB9A 1364/4885NPC1 949/4885SMN1; SMN2 596/4885

“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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