SCHEMBL10198640

SCHEMBL10198640

C1=C(c2ccc3sc4ccc(C5=CCNCC5)cc4c3c2)CCNC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 3/20 0.57
▸ HTR2C P28335 8/20 0.54
▸ SIGMAR1 Q99720 2/20 0.54
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ HTR7 P34969 2/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ KHK P50053 1/20 0.41

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
SCHEMBL15274975 0.90 QDPR (0.48) QDPRHTR2CSIGMAR1HTR1DHTR1B
SCHEMBL15138947 0.85 QDPR (0.48) QDPRHTR2CSIGMAR1HTR1DHTR1B
SCHEMBL14956908 0.72 QDPR (0.60) QDPRHTR2CSIGMAR1HTR7HTR6
SCHEMBL3383939 0.72 HTR2C (0.62) QDPRHTR2CSIGMAR1HTR1DHTR1B
SCHEMBL31367896 0.72 QDPR (1.00) QDPRHTR2CSIGMAR1
SCHEMBL7744628 0.72 QDPR (1.00) QDPRHTR2CSIGMAR1
SCHEMBL3385014 0.72 SIGMAR1 (0.68) QDPRHTR2CSIGMAR1HTR1BHTR7
Hydrochloric Acid SCHEMBL6371753 0.71 HTR2C (0.64) QDPRHTR2CSIGMAR1HTR7HTR6
SCHEMBL5585398 0.71 SIGMAR1 (0.65) QDPRHTR2CSIGMAR1HTR7HTR6
Hydrochloric Acid SCHEMBL2158640 0.71 HTR2C (0.69) QDPRHTR2CSIGMAR1

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 QDPR 1470/4885HTR2C 4159/4885SIGMAR1 3015/4885
US-10603294-B2 Compounds for use in treatment of mucositis MUC1, FUT6, MMP8 QDPR 1470/4885HTR2C 4159/4885SIGMAR1 3015/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 QDPR 1470/4885HTR2C 4159/4885SIGMAR1 3015/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 QDPR 4111/4885HTR2C 2579/4885SIGMAR1 3280/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 QDPR 4111/4885HTR2C 2579/4885SIGMAR1 3280/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI QDPR 775/4885HTR2C 4344/4885SIGMAR1 2845/4885
US-20100081665-A1 Anti-Malarial Compounds AADAC, ME2, HTRA2 QDPR 150/4885HTR2C 1247/4885SIGMAR1 2990/4885
US-20190282521-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 QDPR 1470/4885HTR2C 4159/4885SIGMAR1 3015/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI QDPR 775/4885HTR2C 4344/4885SIGMAR1 2845/4885

“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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