SCHEMBL16545189

SCHEMBL16545189

COC(=O)c1ccc(N)c(CN)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 8/20 0.57
HPGD P15428 7/20 0.57
GAA P10253 5/20 0.57
HSD17B10 Q99714 5/20 0.57
GLA P06280 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
ATM Q13315 1/20 0.57
LOXL2 Q9Y4K0 2/20 0.56
USP2 O75604 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
HDAC1 Q13547 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
Hydrochloric Acid SCHEMBL20943941 0.98 MAPT (0.56) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL4034491 0.88 MAPT (0.59) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL11326977 0.86 MAPT (0.57) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL15862062 0.86 KDM4E (0.62) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL15862210 0.86 LOXL2 (0.59) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL8422569 0.83 KDM4E (0.54) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL17083281 0.83 LOXL2 (0.56) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL29934082 0.83 LOXL2 (0.56) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL19068382 0.82 KDM4E (0.53) MAPTKDM4EALDH1A1HPGDGAA
SCHEMBL23501653 0.81 LOXL2 (0.54) MAPTKDM4EALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021444-B2 Antiviral compounds Janssen Biopharma, Inc. (US) 2021-06-01 US disclosed
US-20190263754-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2019-08-29 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 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 (4 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-20190263754-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 MAPT 4665/4885KDM4E 3737/4885ALDH1A1 4011/4885
US-11021444-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 MAPT 4665/4885KDM4E 3737/4885ALDH1A1 4011/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 MAPT 4665/4885KDM4E 3737/4885ALDH1A1 4011/4885
US-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 MAPT 4665/4885KDM4E 3737/4885ALDH1A1 4011/4885

“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.