SCHEMBL16449995

SCHEMBL16449995

COC(=O)CNc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.60
▸ KAT2B Q92831 2/20 0.57
▸ ALDH1A1 P00352 6/20 0.51
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 6/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ KCNMA1 Q12791 1/20 0.49
▸ HCAR3 P49019 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ PTGER4 P35408 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ CRHBP P24387 1/20 0.48

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
SCHEMBL12672113 0.89 KAT2B (0.56) LMNAKAT2BMAPTRAB9ANPC1
SCHEMBL2421954 0.86 MAPT (0.60) LMNAALDH1A1POLBMAPTMAPK1
SCHEMBL11463783 0.85 KAT2B (0.62) LMNAKAT2BALDH1A1MAPTRAB9A
SCHEMBL3841711 0.84 LMNA (0.55) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL22278705 0.84 LMNA (0.55) LMNAALDH1A1MAPTRAB9ANPC1
SCHEMBL4205265 0.83 LMNA (0.71) LMNAALDH1A1POLBMAPTRAB9A
SCHEMBL16412465 0.83 LMNA (0.54) LMNAKAT2BALDH1A1MAPTRAB9A
SCHEMBL31327382 0.83 LMNA (0.64) LMNAALDH1A1POLBMAPTRAB9A
SCHEMBL29875607 0.83 LMNA (0.54) LMNAKAT2BALDH1A1MAPTRAB9A
SCHEMBL4640284 0.83 KAT2B (0.64) LMNAKAT2BALDH1A1POLBMAPT

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-20150045551-A1 FUSED AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-02-12 — — 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-20150045551-A1 FUSED AZOLE DERIVATIVE AVPR1B, AVPR1A, GRIN2B LMNA 4584/4885KAT2B 976/4885ALDH1A1 1108/4885

“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.

Send feedback