SCHEMBL20138121

SCHEMBL20138121

Cc1nn(C)c(C)c1CN1C(=O)[C@@H](C)Oc2c(F)cc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
NMT1 P30419 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
TTR P02766 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL20138278 0.88 TSHR (0.35) TSHRMEN1KMT2ANPSR1TTR
SCHEMBL20138112 0.86 TSHR (0.34) TSHRMEN1KMT2ANPSR1TTR
SCHEMBL20138286 0.85 TSHR (0.35) TSHRNMT1MEN1KMT2ANPSR1
SCHEMBL20138258 0.84 TSHR (0.31) TSHR
SCHEMBL20138187 0.84 TSHR (0.33) TSHRMEN1KMT2ANPSR1TTR
SCHEMBL20138164 0.83 TSHR (0.30) TSHR
SCHEMBL20138246 0.82
SCHEMBL20138223 0.82 TSHR (0.32) TSHRMEN1KMT2A
SCHEMBL20138194 0.81 GRM2 (0.35) TSHRMEN1KMT2ANPSR1TTR
SCHEMBL18305041 0.81 NMT1 (0.36) NMT1TTRSMN1; SMN2FPR2PROKR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
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 TSHR 2169/4885NMT1 3668/4885MEN1 4094/4885
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 TSHR 940/4885NMT1 2781/4885MEN1 4202/4885

“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.