SCHEMBL2285569

SCHEMBL2285569

CN(Cc1cccnc1)C(=O)OCc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.57
LMNA P02545 3/20 0.54
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
NAMPT P43490 2/20 0.50
CYP17A1 P05093 1/20 0.48
CYP19A1 P11511 1/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
GRM5 P41594 1/20 0.47
CLK1 P49759 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP3A4 P08684 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NAPRT Q6XQN6 1/20 0.45

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
SCHEMBL12277668 0.85 RIPK1 (0.59) RIPK1LMNACHRNB2CHRNA4NAMPT
SCHEMBL5890773 0.81 RIPK1 (0.63) RIPK1LMNACHRNB2CHRNA4NAMPT
SCHEMBL1951232 0.80 LMNA (0.55) RIPK1LMNACHRNB2CHRNA4NAMPT
SCHEMBL8057291 0.80 RIPK1 (0.64) RIPK1LMNACHRNB2CHRNA4NAMPT
SCHEMBL5890987 0.80 LMNA (0.69) RIPK1LMNACHRNB2CHRNA4NAMPT
SCHEMBL8470996 0.78 RIPK1 (0.62) RIPK1LMNACHRNB2CHRNA4NAMPT
SCHEMBL13687204 0.78 CHRNB2 (0.61) RIPK1LMNACHRNB2CHRNA4KMT2A
SCHEMBL2519199 0.78 ALDH1A1 (0.61) LMNANAMPTCYP17A1CYP19A1KMT2A
SCHEMBL27781493 0.78 LMNA (0.63) RIPK1LMNACHRNB2CHRNA4NAMPT
SCHEMBL4245622 0.77 KMT2A (0.58) LMNANAMPTCYP17A1CYP19A1KMT2A

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-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US claimed

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-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions CYP2A6, CYP2B6, CYP2A13 RIPK1 4515/4885LMNA 4127/4885CHRNB2 1165/4885

“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.