SCHEMBL16419740

SCHEMBL16419740

CC(=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 0.45
▸ RECQL P46063 2/20 0.40
▸ MTNR1A P48039 4/20 0.40
▸ MTNR1B P49286 4/20 0.40
▸ F10 P00742 2/20 0.39
▸ F2 P00734 2/20 0.37
▸ PLG P00747 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ C1S P09871 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ F7 P08709 1/20 0.37
▸ F3 P13726 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL16419736 0.94 L3MBTL1 (0.40) L3MBTL1RECQLMTNR1AMTNR1BF10
SCHEMBL16419773 0.94 L3MBTL1 (0.43) L3MBTL1RECQLMTNR1AMTNR1BF10
SCHEMBL15037015 0.87 PRSS1 (0.42) L3MBTL1MTNR1AMTNR1BF10F2
SCHEMBL15036995 0.82 PRSS1 (0.38) L3MBTL1MTNR1AMTNR1BF10F2
SCHEMBL16169694 0.80 F9 (0.34) L3MBTL1MTNR1AMTNR1BF10
SCHEMBL16169701 0.77 CSF3R (0.36) L3MBTL1
SCHEMBL16419734 0.77 CYP1B1 (0.47) —
SCHEMBL16419774 0.76 ABL1 (0.35) L3MBTL1F10F2PRSS1
SCHEMBL16605484 0.74 PRSS1 (0.44) F10F2PLGPRSS1PRSS2
SCHEMBL16419738 0.74 KEAP1 (0.41) —

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-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

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 2880/4885RECQL 2755/4885MTNR1A 670/4885

“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