SCHEMBL18069502

SCHEMBL18069502

OC(CC(c1ccccc1)c1ccccc1)Cn1cnc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 8/20 0.64
MAPT P10636 3/20 0.63
MAPK1 P28482 3/20 0.63
TSHR P16473 2/20 0.63
POLB P06746 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP1A2 P05177 1/20 0.60
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
APAF1 O14727 1/20 0.56
IDO1 P14902 1/20 0.55
GGPS1 O95749 1/20 0.54
FDPS P14324 1/20 0.54
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL4070932 0.81 AGER (0.67) AGERMAPTMAPK1TSHRPOLB
SCHEMBL30719991 0.80 AGER (0.65) AGERMAPTMAPK1TSHRPOLB
SCHEMBL25297849 0.80 AGER (0.65) AGERMAPTMAPK1TSHRPOLB
SCHEMBL6791275 0.79 GGPS1 (0.64) AGERMAPTMAPK1TSHRPOLB
SCHEMBL16603995 0.78 AGER (1.00) AGERMAPTMAPK1TSHRPOLB
SCHEMBL6839525 0.78 P2RX7 (0.69) AGERMAPTMAPK1TSHRPOLB
SCHEMBL16603982 0.77 AGER (1.00) AGERMAPTMAPK1TSHRPOLB
SCHEMBL16603976 0.77 IDO1 (0.74) AGERMAPTMAPK1TSHRPOLB
SCHEMBL16603963 0.77 BACE1 (0.65) AGERMAPTMAPK1TSHRPOLB
SCHEMBL6176569 0.76 APAF1 (0.68) AGERMAPTMAPK1TSHRPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263125-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY 2016-09-15 US disclosed
US-20160263125-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF NEW YORK UNIVERSITY 2016-09-15 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-20160263125-A1 AMINO, AMIDO AND HETEROCYCLIC COMPOUNDS AS MODULATORS OF RAGE ACTIVITY AND USES THEREOF AGER, IAPP, GPR119 AGER 1/4885MAPT 1914/4885MAPK1 1066/4885

“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.