SCHEMBL4451303

SCHEMBL4451303

COC(=O)c1cccc(CN)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
CFTR P13569 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LOXL2 Q9Y4K0 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
MYC P01106 1/20 0.42

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
Hydrochloric Acid SCHEMBL323673 0.98 ALDH1A1 (0.47) ALDH1A1LMNACFTRHSD17B10LOXL2
SCHEMBL7444828 0.86 ALDH1A1 (0.51) ALDH1A1LMNACFTRHSD17B10SMN1; SMN2
SCHEMBL28257314 0.85 TSHR (0.46) ALDH1A1LMNAHSD17B10TSHRCA1
SCHEMBL11152734 0.85 TSHR (0.59) ALDH1A1HSD17B10SMN1; SMN2TSHRCA1
SCHEMBL27679116 0.84 LOXL2 (0.44) ALDH1A1LMNACFTRHSD17B10LOXL2
SCHEMBL16957659 0.84 ALDH1A1 (0.50) ALDH1A1LMNACFTRHSD17B10SMN1; SMN2
Benzene SCHEMBL28861656 0.84 ALDH1A1 (0.50) ALDH1A1LMNACFTRHSD17B10SMN1; SMN2
SCHEMBL1128064 0.84 ALDH1A1 (0.62) ALDH1A1LMNACFTRHSD17B10LOXL2
SCHEMBL27988872 0.83 TSHR (0.37) ALDH1A1LMNACFTRHSD17B10LOXL2
SCHEMBL7715910 0.83 ALDH1A1 (0.49) ALDH1A1LMNACFTRHSD17B10SMN1; SMN2

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 ALDH1A1 2676/4885LMNA 2620/4885CFTR 1115/4885

“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.