SCHEMBL4453962

SCHEMBL4453962

COC(=O)c1cccc(CN2CCN(c3cccc(CN)c3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.64
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR7 P34969 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 3/20 0.48
CHRM3 P20309 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL27040179 0.88 HTR7 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7388920 0.86 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6695084 0.85 MRGPRX4 (0.55) LOXL2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6695078 0.84 ITGB3 (0.55) LOXL2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18998015 0.84 KDM4E (0.63) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL2712544 0.84 DRD2 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL27455587 0.83 SMN1; SMN2 (0.53) LOXL2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10145077 0.80 ALDH1A1 (0.60) LOXL2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31721209 0.80 ALDH1A1 (0.60) LOXL2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1373046 0.80 CYP2D6 (0.67) LOXL2ALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 US disclosed
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 US disclosed
WO-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 WO disclosed
WO-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 WO 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-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 LOXL2 4050/4885ALDH1A1 2676/4885SMN1; SMN2 1983/4885

“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.