SCHEMBL29873129

SCHEMBL29873129

COc1ccc(Cn2nc(OC(F)F)c3cc(Oc4ccc([N+](=O)[O-])cc4)cnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CNR2 P34972 5/20 0.42
▸ ACHE P22303 4/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ PDE5A O76074 1/20 0.40
▸ SLC29A1 Q99808 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ KCNJ1 P48048 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP9 P14780 1/20 0.37

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
SCHEMBL29872618 0.86 CNR1 (0.39) MAPTSMN1; SMN2CNR2CNR1PDE5A
SCHEMBL23069180 0.85 MAPT (0.50) MAPTSMN1; SMN2CNR2ACHECNR1
SCHEMBL29872970 0.84 MAPT (0.49) MAPTSMN1; SMN2CNR2ACHECNR1
SCHEMBL23069175 0.80 CNR1 (0.43) MAPTSMN1; SMN2CNR2CNR1PDE5A
SCHEMBL29873478 0.80 CNR1 (0.43) MAPTSMN1; SMN2CNR2CNR1PDE5A
SCHEMBL29872986 0.79 CNR2 (0.45) MAPTSMN1; SMN2CNR2CNR1PDE5A
SCHEMBL23069164 0.79 PDE1B (0.50) MAPTSMN1; SMN2CNR2CNR1PDE5A
SCHEMBL29872865 0.79 PDE1B (0.50) MAPTSMN1; SMN2CNR2CNR1PDE5A
SCHEMBL1593522 0.76 CNR2 (0.50) MAPTSMN1; SMN2CNR2ACHECNR1
SCHEMBL29872989 0.75 BUB1 (0.40) MAPTSMN1; SMN2CNR2CNR1PDE5A

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-20220306640-A1 HYDANTOIN DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-09-29 — — 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-20220306640-A1 HYDANTOIN DERIVATIVE DDR1, DDR2, DDRGK1 MAPT 3943/4885SMN1; SMN2 1226/4885CNR2 3824/4885

“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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