SCHEMBL22023652

SCHEMBL22023652

Cc1cccc(C(N)=O)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.42
MYC P01106 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
SIRT3 Q9NTG7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TNIK Q9UKE5 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
METAP2 P50579 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL3628103 0.88 KDM4E (0.46) PARP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL1267037 0.83 PARP1 (0.43) PARP1MYCALDH1A1HPGDL3MBTL1
SCHEMBL31678934 0.83 PARP1 (0.43) PARP1MYCALDH1A1HPGDL3MBTL1
SCHEMBL11930069 0.82 ALDH1A1 (0.57) MYCALDH1A1HPGDLMNAHTT
SCHEMBL22024137 0.82 PARP1 (0.39) PARP1MYCALDH1A1HPGDL3MBTL1
SCHEMBL20421489 0.82 PARP1 (0.38) PARP1MYCALDH1A1HPGDL3MBTL1
SCHEMBL22129807 0.81 KDM4E (0.39) MYCALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5506244 0.81 MMP2 (0.41) PARP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL28819980 0.81 CA2 (0.43) PARP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL9509593 0.80 CA1 (0.49) MYCALDH1A1HPGDHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20210292320-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-09-23 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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-20210292320-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS HAVCR2, HDGF, HCCS PARP1 1707/4885MYC 595/4885ALDH1A1 2297/4885
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS PARP1 1707/4885MYC 595/4885ALDH1A1 2297/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF PARP1 2120/4885MYC 553/4885ALDH1A1 2352/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF PARP1 2120/4885MYC 553/4885ALDH1A1 2352/4885

“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.