SCHEMBL20138281

SCHEMBL20138281

Cc1noc(C)c1CN1C(=O)C(C)(F)Oc2ccc(Br)nc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
TAS2R8 Q9NYW2 13/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL20138234 0.76 TSHR (0.39) HSD17B10TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL2204904 0.65 TDP1 (0.65) HSD17B10TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL21672067 0.60 REN (0.34)
SCHEMBL20137924 0.59 BRD4 (0.35) TSHRHTTALDH1A1
SCHEMBL8570701 0.59 TDP1 (0.52) HSD17B10TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL20137910 0.58 TSHR (0.40) TSHRHTTALDH1A1
SCHEMBL20138011 0.58 TSHR (0.35) TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL20138269 0.58 HDAC1 (0.49) HSD17B10TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL20137997 0.57 TSHR (0.37) TSHRHTTALDH1A1
SCHEMBL25898322 0.57 MARK3 (0.50) SMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 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 (2 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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A HSD17B10 1111/4885TSHR 2169/4885HTT 303/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA HSD17B10 2471/4885TSHR 940/4885HTT 3751/4885

“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.