SCHEMBL16419773

SCHEMBL16419773

N=C(N)NCCCOc1cc(OCCCNC(=N)N)cc(-c2cc(-c3ccccc3)cc(-c3cc(OCCCNC(=N)N)cc(OCCCNC(=N)N)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ F10 P00742 2/20 0.43
▸ PRSS1 P07477 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ C1S P09871 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HTR1B P28222 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ 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
SCHEMBL16419740 0.94 L3MBTL1 (0.45) L3MBTL1F10PRSS1RECQLF2
SCHEMBL15037015 0.93 PRSS1 (0.42) L3MBTL1F10PRSS1F2PLG
SCHEMBL15036995 0.88 PRSS1 (0.38) L3MBTL1F10PRSS1F2PLG
SCHEMBL16419736 0.87 L3MBTL1 (0.40) L3MBTL1F10PRSS1RECQLMTNR1A
SCHEMBL16419774 0.82 ABL1 (0.35) L3MBTL1F10PRSS1F2
SCHEMBL16605484 0.80 PRSS1 (0.44) F10PRSS1F2PLGPRSS2
SCHEMBL10064720 0.79 F10 (0.53) F10PRSS1F2PLGPRSS2
SCHEMBL10310294 0.78 MTNR1A (0.59) L3MBTL1F10PRSS1RECQLF2
SCHEMBL15805867 0.78 F9 (0.36) F10PRSS1
SCHEMBL16603503 0.77 LMNA (0.49) L3MBTL1F10SMN1; SMN2

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
US-9469616-B2 Cyclic compounds and methods of making and using the same CELLCEUTIX CORPORATION (US) 2016-10-18 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — 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-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MUC1, TLR3, ALG1 L3MBTL1 2880/4885F10 1930/4885PRSS1 2089/4885

“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.

Send feedback