SCHEMBL879554

SCHEMBL879554

N=C(N)NCCc1cc(Br)cc(C#Cc2cccc(C#Cc3cc(Br)cc(CCNC(=N)N)c3)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 2/20 0.33
ALOX5 P09917 1/20 0.32
EPHX2 P34913 1/20 0.32
PTGES O14684 2/20 0.32
PLAU P00749 1/20 0.32
ST14 Q9Y5Y6 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
FFAR1 O14842 4/20 0.31
ASIC3 Q9UHC3 1/20 0.31
MGLL Q99685 1/20 0.31
F10 P00742 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
SCHEMBL16559047 0.94 TAAR1 (0.33) TAAR1NPC1RAB9ACNR1ALOX5
SCHEMBL880647 0.91 PTGES (0.32) TAAR1NPC1RAB9ACNR1PTGES
SCHEMBL16172321 0.90 NOS1 (0.36) CNR1ALOX5EPHX2PTGESPLAU
SCHEMBL16169716 0.84 FFAR1 (0.33) CNR1ALOX5EPHX2PTGESPLAU
SCHEMBL15244959 0.84 TACR1 (0.34) FFAR1
SCHEMBL10198719 0.82 TAAR1 (0.38) TAAR1CNR1PTGESFFAR1
SCHEMBL15245061 0.81 ACACB (0.33)
SCHEMBL15805985 0.80 ACACB (0.38) PLAUST14FFAR1ASIC3
SCHEMBL16603510 0.78 GRIN2B (0.33) F10
SCHEMBL85784 0.77 TAAR1 (0.53) TAAR1PLAUFFAR1ASIC3

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 53 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-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-8222456-B2 Facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-07-17 US disclosed
US-8222456-B2 Facially amphiphilic polyaryl and polyarylalkynyl polymers and oligomers and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-07-17 US disclosed
EP-2433628-A1 Facially amphiphilic polymers and oligomers, compositions thereof, and use thereof in methods of treating cancer The Trustees Of The University Of Pennsylvania (US) 2012-03-28 EP 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
EP-2301349-A2 Facially amphiphilic polymers and oligomers, compositions thereof, and use thereof in methods of treating cancer The Trustees of The University of Pennsylvania (US) 2011-03-30 EP disclosed
EP-2298074-A2 Facially amphiphilic polymers and oligomers, compositions thereof, and use thereof in methods of treating cancer The Trustees Of The University Of Pennsylvania (US) 2011-03-23 EP disclosed
US-20100081665-A1 Anti-Malarial Compounds CELLCEUTIX CORPORATION 2010-04-01 US disclosed
US-20090092574-A1 Ophthalmic And Otic Compositions Of Facially Amphiphilic Polymers And Oligomers And Uses Thereof MIDCAP FINANCIAL SBIC, LP, AS ADMINISTRATIVE AGENT 2009-04-09 US disclosed
US-20090092574-A1 Ophthalmic And Otic Compositions Of Facially Amphiphilic Polymers And Oligomers And Uses Thereof MIDCAP FINANCIAL SBIC, LP, AS ADMINISTRATIVE AGENT 2009-04-09 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 (8 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 TAAR1 4726/4885NPC1 571/4885RAB9A 2835/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 TAAR1 4726/4885NPC1 571/4885RAB9A 2835/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 TAAR1 2693/4885NPC1 1461/4885RAB9A 3042/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI TAAR1 4831/4885NPC1 791/4885RAB9A 3674/4885
US-20090092574-A1 Ophthalmic And Otic Compositions Of Facially Amphiphilic Polymers And Oligomers And Uses Thereof OTC, OCIAD2, OCIAD1 TAAR1 3953/4885NPC1 198/4885RAB9A 3404/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 TAAR1 3166/4885NPC1 121/4885RAB9A 2029/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 TAAR1 4726/4885NPC1 571/4885RAB9A 2835/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI TAAR1 4831/4885NPC1 791/4885RAB9A 3674/4885

“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.