SCHEMBL30149138

SCHEMBL30149138

COc1cccc2[nH]c(C(N)=O)c(C(F)(F)F)c12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.52
▸ KDM4E B2RXH2 8/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HSD17B10 Q99714 5/20 0.44
▸ MAP2 P11137 3/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ AR P10275 2/20 0.42
▸ PARP1 P09874 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MAPKAPK2 P49137 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38

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
SCHEMBL29613830 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHSD17B10MAP2
SCHEMBL30149153 0.77 MAPK8 (0.34) ALDH1A1KDM4EMAPTMAP2AR
SCHEMBL1786191 0.71 KDM4E (0.53) ALDH1A1KDM4EMAPTHSD17B10MAP2
SCHEMBL24189144 0.71 KDM4E (0.53) ALDH1A1KDM4EMAPTHSD17B10ABCG2
SCHEMBL8985827 0.70 KDM4E (0.60) ALDH1A1KDM4EMAPTHSD17B10ABCG2
SCHEMBL8054562 0.70 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTHSD17B10ABCG2
SCHEMBL7778483 0.70 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHSD17B10ABCG2
SCHEMBL29062680 0.69 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHSD17B10MAP2
SCHEMBL29484408 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHSD17B10ABCG2
SCHEMBL6008353 0.68 ABCG2 (0.65) ALDH1A1KDM4EMAPTHSD17B10ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541034-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2023-01-03 — — 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-11541034-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 ALDH1A1 3238/4885KDM4E 1904/4885MAPT 3451/4885

“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.

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