SCHEMBL20138285

SCHEMBL20138285

CC(=O)N1CCCC(c2ccc3c(n2)N(Cc2c(C)nn(C)c2C)C(=O)CO3)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 2/20 0.33
MAP3K12 Q12852 2/20 0.33
SHMT2 P34897 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
OXTR P30559 1/20 0.32
PROKR1 Q8TCW9 2/20 0.32
USP1 O94782 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPV3 Q8NET8 1/20 0.31

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
SCHEMBL20138091 0.86 GALR3 (0.35) GALR3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20137950 0.85 GALR3 (0.37) GALR3SMN1; SMN2ALDH1A1KDM4EMAP3K12
SCHEMBL20138145 0.82 HTT (0.34) SMN1; SMN2KMT2AALDH1A1TSHRPROKR1
SCHEMBL20138039 0.82 GALR3 (0.36) GALR3SMN1; SMN2ALDH1A1KDM4EMAP3K12
SCHEMBL20137954 0.82 HTR1A (0.38) KMT2AALDH1A1HTT
SCHEMBL20138097 0.80 GRM2 (0.32) SMN1; SMN2MEN1KMT2ASHMT2NPC1
SCHEMBL20138158 0.78 GALR3 (0.37) GALR3SMN1; SMN2ALDH1A1PROKR1MAPK1
SCHEMBL20138092 0.77 SMN1; SMN2 (0.36) SMN1; SMN2KMT2ASHMT2NPC1RAB9A
SCHEMBL20137971 0.76 SMN1; SMN2 (0.36) GALR3SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL18304996 0.75 GALR3 (0.33) GALR3SMN1; SMN2MEN1KMT2AALDH1A1

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 GALR3 1922/4885SMN1; SMN2 798/4885MEN1 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 GALR3 1578/4885SMN1; SMN2 419/4885MEN1 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.