SCHEMBL16284389

SCHEMBL16284389

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.43
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ F9 P00740 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ PROC P04070 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
SCHEMBL10198641 0.94 F10 (0.46) F10MTNR1AMTNR1BF9NOS1
SCHEMBL10260041 0.90 F10 (0.43) F10F9NOS1PLGPROC
SCHEMBL13429567 0.87 F10 (0.41) F10F9NOS1PLGPROC
SCHEMBL15275016 0.81 F10 (0.43) F10MTNR1AMTNR1BSMN1; SMN2NOS1
SCHEMBL16603461 0.81 F10 (0.42) F10MTNR1AMTNR1BNOS1
SCHEMBL16603511 0.80 F10 (0.41) F10MTNR1AMTNR1BNOS1PLG
SCHEMBL16603473 0.79 F10 (0.38) F10MTNR1AMTNR1BNOS1
SCHEMBL16169747 0.78 F10 (0.40) F10MTNR1AMTNR1B
SCHEMBL16169694 0.78 F9 (0.34) F10MTNR1AMTNR1BF9L3MBTL1
SCHEMBL16169705 0.76 F9 (0.32) F10MTNR1AMTNR1BF9

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-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 — — US disclosed
US-20160287586-A1 COMPOUNDS AND METHODS FOR TREATING CANDIDIASIS AND ASPERGILLUS INFECTIONS CELLCEUTIX CORPORATION 2016-10-06 — — US disclosed
US-9155738-B2 Compounds for use in treatment of mucostitis CELLCEUTIX CORPORATION (US) 2015-10-13 — — US disclosed
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS POLYMEDIX, INC. 2015-03-12 — — US disclosed
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS INNOVATION PHARMACEUTICALS INC. 2014-12-11 — — 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 (4 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-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 F10 2584/4885MTNR1A 49/4885MTNR1B 79/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI F10 2361/4885MTNR1A 129/4885MTNR1B 275/4885
US-20160287586-A1 COMPOUNDS AND METHODS FOR TREATING CANDIDIASIS AND ASPERGILLUS INFECTIONS ERG28, DPM1, MANBA F10 3405/4885MTNR1A 1526/4885MTNR1B 1982/4885
US-20150072997-A1 ANTI-MALARIAL COMPOUNDS AADAC, ME2, HTRA2 F10 4834/4885MTNR1A 652/4885MTNR1B 1049/4885

“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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