SCHEMBL880647

SCHEMBL880647

N=C(N)NCCc1cc(Br)cc(C#Cc2cccc(-c3cc(Br)cc(CCNC(=N)N)c3)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.32
F2 P00734 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL879554 0.91 TAAR1 (0.34) PTGESNPC1RAB9ATAAR1CNR1
SCHEMBL10287770 0.87 TAAR1 (0.36) F2NPC1RAB9ATAAR1CNR1
SCHEMBL16559047 0.85 TAAR1 (0.33) PTGESNPC1RAB9ATAAR1CNR1
SCHEMBL10079267 0.84 PTGES (0.32) PTGESF2
SCHEMBL16172321 0.81 NOS1 (0.36) PTGESCNR1
SCHEMBL10078124 0.80 TAAR1 (0.45) PTGESTAAR1
SCHEMBL13978409 0.80 NPC1 (0.32) F2NPC1RAB9ATAAR1CNR1
SCHEMBL15138993 0.77 NOS1 (0.39) F2
SCHEMBL16169716 0.76 FFAR1 (0.33) PTGESCNR1
SCHEMBL10079259 0.76 TAAR1 (0.32) TAAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 US disclosed
EP-2433627-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
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
WO-2010014573-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. (US) 2010-02-04 WO disclosed
WO-2008083256-A2 OPHTHALMIC AND OTIC COMPOSITIONS OF FACIALLY AMPHIPHILIC POLYMERS AND OLIGOMERS AND USES THEREOF POLYMEDIX, INC. (US) 2008-07-10 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 (2 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-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 PTGES 265/4885F2 2366/4885NPC1 1461/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 PTGES 265/4885F2 2366/4885NPC1 1461/4885

“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.