SCHEMBL21311396

SCHEMBL21311396

COc1ccccc1-n1cc(CNCC2OCC(O)(n3cnc4c(N)ncnc43)C2O)nn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ IMPDH2 P12268 3/20 0.36
▸ IMPDH1 P20839 3/20 0.36
▸ ATM Q13315 1/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.34
▸ TAS1R1 Q7RTX1 2/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ DOT1L Q8TEK3 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20096665 0.81 ATM (0.56) IMPDH2IMPDH1ATMDOT1LSMN1; SMN2
SCHEMBL21311388 0.80 DOT1L (0.41) ATMTAS1R3TAS1R1DOT1L
SCHEMBL21311394 0.79 L3MBTL1 (0.37) ATMDOT1LLMNAHPGDSMN1; SMN2
SCHEMBL21311204 0.76 DOT1L (0.34) DOT1LLMNAHPGDSMN1; SMN2
SCHEMBL21311475 0.73 ADORA3 (0.39) ATMDOT1L
SCHEMBL21311192 0.73 DOT1L (0.37) ATMDOT1L
SCHEMBL21311468 0.72 ALDH1A1 (0.39) ATMDOT1L
SCHEMBL21311217 0.72 ADORA2A (0.47) TAS1R3TAS1R1DOT1LSMN1; SMN2
SCHEMBL21311195 0.71 EGFR (0.44) DOT1L
SCHEMBL20097017 0.71 METTL3 (0.39) —

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 — — 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 KDM1A 3205/4885ADRB2 4812/4885ADRB1 4575/4885

“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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