SCHEMBL21591

SCHEMBL21591

NCCCc1cccc(-c2ccc3sc4ccc(-c5cccc(CCCN)c5)cc4c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TAAR1 Q96RJ0 6/20 0.37
▸ MAOB P27338 3/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ DRD2 P14416 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ LIMK1 P53667 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
SCHEMBL10198621 0.90 HTR7 (0.47) HTR7MAP4K4TAAR1MAOBHTR6
SCHEMBL10287778 0.85 AKT2 (0.45) MAOACYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL10260041 0.85 F10 (0.43) —
SCHEMBL10198629 0.83 TAAR1 (0.44) TAAR1LIMK1
SCHEMBL16172414 0.81 AOC3 (0.37) —
SCHEMBL10198620 0.81 AKT2 (0.39) HTR7MAP4K4MAOACYP1A2CYP2D6
SCHEMBL15138999 0.81 MAOA (0.50) HTR7MAOACYP1A2CYP2D6CYP2C19
SCHEMBL19940166 0.81 MC4R (0.44) CYP1A2CYP2D6CYP2C19
SCHEMBL10198627 0.79 HTR2A (0.44) —
SCHEMBL10198641 0.78 F10 (0.46) 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 44 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-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 — — US disclosed
US-20120115877-A1 Facially Amphiphilic Compounds, Compositions, And Uses Thereof In Treating Cancer POLYMEDIX, INC. (US) 2012-05-10 — — US disclosed
US-20120115877-A1 Facially Amphiphilic Compounds, Compositions, And Uses Thereof In Treating Cancer POLYMEDIX, INC. (US) 2012-05-10 — — US disclosed
WO-2012027230-A1 FACIALLY AMPHIPHILIC COMPOUNDS, COMPOSITIONS, AND USES THEREOF IN TREATING CANCER POLYMEDIX, INC. (US) 2012-03-01 — — WO 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 (9 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 HTR7 3426/4885MAP4K4 4636/4885MAOA 3997/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 HTR7 3426/4885MAP4K4 4636/4885MAOA 3997/4885
US-20120115877-A1 Facially Amphiphilic Compounds, Compositions, And Uses Thereof In Treating Cancer LIPA, ABHD16A, SGMS1 HTR7 2645/4885MAP4K4 4611/4885MAOA 4160/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 HTR7 4117/4885MAP4K4 2362/4885MAOA 3340/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 HTR7 4117/4885MAP4K4 2362/4885MAOA 3340/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI HTR7 4037/4885MAP4K4 4583/4885MAOA 3893/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 HTR7 2785/4885MAP4K4 2021/4885MAOA 1029/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HTR7 3426/4885MAP4K4 4636/4885MAOA 3997/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI HTR7 4037/4885MAP4K4 4583/4885MAOA 3893/4885

“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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