SCHEMBL10198621

SCHEMBL10198621

NCCc1cccc(-c2ccc3sc4ccc(-c5cccc(CCN)c5)cc4c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.47
▸ TAAR1 Q96RJ0 9/20 0.46
▸ MAOB P27338 5/20 0.46
▸ DRD2 P14416 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ MAP4K4 O95819 1/20 0.40
▸ CYP2A6 P11509 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ AKT2 P31751 1/20 0.39

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
SCHEMBL21591 0.90 HTR7 (0.39) HTR7TAAR1MAOBDRD2DRD1
SCHEMBL10198629 0.86 TAAR1 (0.44) TAAR1SMN1; SMN2LOXL2
SCHEMBL15244883 0.82 TAAR1 (0.63) HTR7TAAR1MAOBDRD2DRD1
SCHEMBL19940166 0.80 MC4R (0.44) —
SCHEMBL15274972 0.80 HTR7 (0.47) HTR7TAAR1MAOBDRD2DRD1
SCHEMBL13429705 0.80 MEN1 (0.56) MAP4K4
SCHEMBL31083635 0.79 PRKCI (0.51) MAP4K4
SCHEMBL16172414 0.78 AOC3 (0.37) —
SCHEMBL10260041 0.77 F10 (0.43) —
SCHEMBL172787 0.76 TAAR1 (0.62) HTR7TAAR1MAOBDRD2DRD1

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 41 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-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — US 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 (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 3426/4885TAAR1 4726/4885MAOB 3540/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 HTR7 3426/4885TAAR1 4726/4885MAOB 3540/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HTR7 3426/4885TAAR1 4726/4885MAOB 3540/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 HTR7 4117/4885TAAR1 2693/4885MAOB 2535/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 HTR7 4117/4885TAAR1 2693/4885MAOB 2535/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI HTR7 4037/4885TAAR1 4831/4885MAOB 3661/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 HTR7 2785/4885TAAR1 3166/4885MAOB 1906/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HTR7 3426/4885TAAR1 4726/4885MAOB 3540/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI HTR7 4037/4885TAAR1 4831/4885MAOB 3661/4885

“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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