SCHEMBL10198641

SCHEMBL10198641

N=C(N)NCCCc1cccc(-c2ccc3sc4ccc(-c5cccc(CCCNC(=N)N)c5)cc4c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.46
▸ NOS1 P29475 1/20 0.37
▸ F9 P00740 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ PLG P00747 1/20 0.35
▸ PROC P04070 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PADI3 Q9ULW8 1/20 0.35
▸ PADI4 Q9UM07 1/20 0.35
▸ PADI2 Q9Y2J8 1/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34

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
SCHEMBL10260041 0.95 F10 (0.43) F10NOS1F9FAAHPLG
SCHEMBL16284389 0.94 F10 (0.43) F10NOS1F9PLGPROC
SCHEMBL13429567 0.92 F10 (0.41) F10NOS1F9FAAHPLG
SCHEMBL21591 0.78 HTR7 (0.39) MAP4K4
SCHEMBL15244944 0.78 F10 (0.46) F10NOS1MTNR1AMTNR1B
SCHEMBL15139083 0.78 F10 (0.47) F10NOS1FAAHPADI3
SCHEMBL15805900 0.77 F10 (0.44) F10NOS1FAAHPLGPROC
SCHEMBL13400051 0.77 NQO2 (0.43) MTNR1AMTNR1B
SCHEMBL16605482 0.76 F10 (0.41) F10NOS1FAAH
SCHEMBL10198621 0.75 HTR7 (0.47) MAP4K4

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10603294-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2020-03-31 — — US disclosed
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. 2019-09-19 — — US disclosed
US-10206894-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2019-02-19 — — US disclosed
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 — — US disclosed
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 — — US disclosed
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 — — US disclosed
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — US disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — US disclosed
US-20160287586-A1 COMPOUNDS AND METHODS FOR TREATING CANDIDIASIS AND ASPERGILLUS INFECTIONS CELLCEUTIX CORPORATION 2016-10-06 — — US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — US disclosed
WO-2012158672-A2 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS POLYMEDIX, INC. (US) 2012-11-22 — — WO disclosed
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 — — US disclosed
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 — — US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 — — US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 — — US disclosed
WO-2012006315-A2 METHODS OF IMMUNE MODULATION POLYMEDIX, INC. (US) 2012-01-12 — — WO disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 — — US disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 — — US disclosed
WO-2010014573-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. (US) 2010-02-04 — — 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 (10 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 F10 2584/4885NOS1 2001/4885F9 3235/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 F10 2584/4885NOS1 2001/4885F9 3235/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 F10 2584/4885NOS1 2001/4885F9 3235/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 F10 4043/4885NOS1 693/4885F9 4287/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 F10 4043/4885NOS1 693/4885F9 4287/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI F10 2361/4885NOS1 1629/4885F9 3451/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 F10 4834/4885NOS1 2103/4885F9 4850/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 F10 2584/4885NOS1 2001/4885F9 3235/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI F10 2361/4885NOS1 1629/4885F9 3451/4885
US-20160287586-A1 COMPOUNDS AND METHODS FOR TREATING CANDIDIASIS AND ASPERGILLUS INFECTIONS ERG28, DPM1, MANBA F10 3405/4885NOS1 211/4885F9 3602/4885

“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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