Sugi Predict

Sugi Predict / Compounds / SCHEMBL9500613

SCHEMBL9500613

SCHEMBL9500613

CNCCCc1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 4/20 0.41
▸ NOS1 P29475 4/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MPO P05164 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CTSK P43235 1/20 0.32

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
SCHEMBL14886894 0.94 L3MBTL1 (0.40) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL119179 0.88 — —
Bromide SCHEMBL1423332 0.86 HRH3 (0.44) MEN1KMT2AHRH3ALDH1A1MAPT
Hydrochloric Acid SCHEMBL614543 0.86 TAAR1 (0.47) MEN1KMT2AHRH3ALDH1A1MAPT
SCHEMBL20160114 0.82 — —
SCHEMBL20822020 0.81 HRH4 (0.42) MEN1KMT2AHRH3HRH4MPO
SCHEMBL5322896 0.81 HRH4 (0.32) HRH3HRH4
SCHEMBL21008944 0.81 — —
SCHEMBL16311943 0.80 HRH4 (0.44) HRH3HRH4SIGMAR1HTR1B
SCHEMBL20834976 0.80 HRH4 (0.44) HRH3ALDH1A1HRH4MPOSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371548-A1 HYALURONIC ACID DERIVATIVE MODIFIED WITH POLYETHYLENE GLYCOL CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-12-02 — — US disclosed
US-20210292303-A1 AMINE CATIONIC LIPIDS AND USES THEREOF DICERNA PHARMACEUTICALS, INC. 2021-09-23 — — US disclosed
EP-3712181-A1 HYALURONIC ACID DERIVATIVE MODIFIED WITH POLY(ETHYLENE GLYCOL) Chugai Seiyaku Kabushiki Kaisha (JP) 2020-09-23 — — EP disclosed
US-10350544-B2 Gas treating solutions containing imidazole-amine compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2019-07-16 — — US disclosed
US-20190142959-A1 HYALURONIC ACID DERIVATIVES INTO WHICH CATIONIC AND HYDROPHOBIC GROUPS ARE INTRODUCED CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-05-16 — — US disclosed
EP-3456745-A1 HYALURONIC ACID DERIVATIVE HAVING CATIONIC GROUP AND HYDROPHOBIC GROUP INTRODUCED THEREIN Chugai Seiyaku Kabushiki Kaisha (JP) 2019-03-20 — — EP disclosed
WO-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 — — WO disclosed
US-20180021723-A1 GAS TREATING SOLUTIONS CONTAINING IMIDAZOLE-AMINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2018-01-25 — — US disclosed
US-20170137409-A1 Amine Cationic Lipids and Uses Thereof NOVO NORDISK A/S (DK) 2017-05-18 — — US disclosed
US-9549983-B2 Amine cationic lipids and uses thereof DICERNA PHARMACEUTICALS, INC. (US) 2017-01-24 — — US disclosed
WO-2016126957-A1 GAS TREATING SOLUTIONS CONTAINING IMIDAZOLE-AMINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-08-11 — — WO disclosed
US-20150374842-A1 PROCESS FOR FORMULATING AN ANIONIC AGENT NOVO NORDISK A/S (DK) 2015-12-31 — — US disclosed
US-20140371293-A1 Amine Cationic Lipids and Uses Thereof DICERNA PHARMACEUTICALS, INC. (US) 2014-12-18 — — US disclosed
EP-0320455-B1 ARALIPHATYL AMINOALCANE DIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1993-06-09 — — EP disclosed
US-5190930-A Calcium metabolism disorder CIBA-GEIGY CORPORATION (US) 1993-03-02 — — US disclosed
US-5110807-A Calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1992-05-05 — — US disclosed
EP-0320455-A1 Araliphatyl aminoalcane diphosphonic acids CIBA-GEIGY AG (CH) 1989-06-14 — — EP 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 (8 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-20210371548-A1 HYALURONIC ACID DERIVATIVE MODIFIED WITH POLYETHYLENE GLYCOL CD44, F12, HPSE NOS3 3959/4885NOS1 4046/4885NOS2 3513/4885
US-20150374842-A1 PROCESS FOR FORMULATING AN ANIONIC AGENT PHOSPHO1, POLRMT, LIPA NOS3 4867/4885NOS1 4792/4885NOS2 4783/4885
US-20140371293-A1 Amine Cationic Lipids and Uses Thereof SGMS2, SLC43A1, SGMS1 NOS3 2107/4885NOS1 2588/4885NOS2 2121/4885
US-10350544-B2 Gas treating solutions containing imidazole-amine compounds NISCH, INMT, GMPS NOS3 48/4885NOS1 31/4885NOS2 14/4885
US-20170137409-A1 Amine Cationic Lipids and Uses Thereof SGMS2, SLC43A1, SGMS1 NOS3 2107/4885NOS1 2588/4885NOS2 2121/4885
US-20180021723-A1 GAS TREATING SOLUTIONS CONTAINING IMIDAZOLE-AMINE COMPOUNDS NISCH, INMT, GMPS NOS3 48/4885NOS1 31/4885NOS2 14/4885
US-20210292303-A1 AMINE CATIONIC LIPIDS AND USES THEREOF SGMS2, SLC43A1, SGMS1 NOS3 2107/4885NOS1 2588/4885NOS2 2121/4885
US-20190142959-A1 HYALURONIC ACID DERIVATIVES INTO WHICH CATIONIC AND HYDROPHOBIC GROUPS ARE INTRODUCED CD44, MUC1, FUT5 NOS3 2535/4885NOS1 1966/4885NOS2 1904/4885

“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.