SCHEMBL15036871

SCHEMBL15036871

N=C(N)NCCCOc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6ccc(OCCCNC(=N)N)c(OCCCNC(=N)N)c6)nn5)cc4c3)nn2)cc1OCCCNC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGT O15294 2/20 0.43
▸ MAPT P10636 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ P2RY14 Q15391 3/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ MIF P14174 1/20 0.35
▸ NME4 O00746 1/20 0.35
▸ GCDH Q92947 1/20 0.35
▸ SIRT5 Q9NXA8 1/20 0.35
▸ SQSTM1 Q13501 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HSD17B1 P14061 2/20 0.34
▸ HSD17B2 P37059 2/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL15036880 0.83 MAPT (0.43) OGTMAPTSNCAP2RY14OPRD1
SCHEMBL16419741 0.79 OGT (0.40) OGTMAPTSNCAP2RY14MIF
SCHEMBL16419764 0.76 CYP1B1 (0.49) OGTMAPTSNCAP2RY14OPRD1
SCHEMBL15036884 0.75 KEAP1 (0.42) P2RY14OPRD1SIGMAR1MIFHDAC3
SCHEMBL15036892 0.72 HSD17B1 (0.46) MAPTSNCAHDAC3HDAC1HDAC6
SCHEMBL16419734 0.72 CYP1B1 (0.47) OGTP2RY14OPRD1SIGMAR1MIF
SCHEMBL16419738 0.71 KEAP1 (0.41) P2RY14OPRD1SIGMAR1HDAC3HDAC1
SCHEMBL16419776 0.69 CYP1B1 (0.47) OGTMAPTSNCAP2RY14MIF
SCHEMBL15036900 0.68 KEAP1 (0.48) OGTMAPTSNCAMIFHSD17B1
SCHEMBL16419751 0.68 KEAP1 (0.44) MAPTSNCAHDAC3HDAC1HDAC6

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 5 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-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
WO-2013090185-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME POLYMEDIX, INC. (US) 2013-06-20 — — WO 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 OGT 81/4885MAPT 3998/4885SNCA 4884/4885

“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.

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