Sugi Predict

Sugi Predict / Compounds / SCHEMBL9933973

SCHEMBL9933973

SCHEMBL9933973

OCc1ncn2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.40
▸ GABRA1 P14867 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ EPAS1 Q99814 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ GAA P10253 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ QPCT Q16769 1/20 0.31

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
SCHEMBL11155397 0.81 DRD4 (0.40) DRD4GABRA5ALDH1A1L3MBTL1TDP1
Hydrochloric Acid SCHEMBL29915606 0.79 DRD4 (0.40) DRD4TDP1ALOX15
SCHEMBL25253616 0.78 DRD4 (0.39) DRD4ALDH1A1L3MBTL1TDP1ALOX15
SCHEMBL3798363 0.77 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EGAAHPGD
Bromide SCHEMBL11534545 0.77 PTPN1 (0.44) DRD4HIF1AEPAS1MEN1KMT2A
SCHEMBL11166846 0.77 DRD4 (0.38) DRD4KDM4EMEN1HPGDKMT2A
SCHEMBL24656020 0.77 DRD4 (0.38) DRD4GABRA5TDP1GAAMEN1
SCHEMBL24501603 0.77 DRD4 (0.38) DRD4TDP1KDM4EMEN1CYP3A4
SCHEMBL8241226 0.75 DRD4 (0.38) DRD4ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL24841998 0.74 DRD4 (0.37) DRD4GABRA5GAA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 — — US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 — — US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 — — US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 — — US disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 — — EP disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 — — EP disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 — — US disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 — — US disclosed
US-8557766-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-10-15 — — US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 — — US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 — — US disclosed
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 — — US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 — — US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 — — EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 — — EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 — — US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 — — US disclosed
EP-0242341-A1 Benzimidazoles, process for their preparation and preparations containing same Aktiebolaget Hässle (SE) 1987-10-21 — — EP disclosed
WO-1987005021-A1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE Aktiebolaget Hässle (SE) 1987-08-27 — — 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 (7 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 DRD4 1484/4885GABRA1 621/4885GABRA5 906/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 DRD4 1417/4885GABRA1 565/4885GABRA5 877/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 DRD4 1873/4885GABRA1 630/4885GABRA5 869/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 DRD4 975/4885GABRA1 636/4885GABRA5 539/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 DRD4 1478/4885GABRA1 444/4885GABRA5 339/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 DRD4 1000/4885GABRA1 702/4885GABRA5 733/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 DRD4 1888/4885GABRA1 600/4885GABRA5 885/4885

“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.