Sugi Predict

Sugi Predict / Compounds / SCHEMBL1455844

SCHEMBL1455844

SCHEMBL1455844

CSCCC1COC(c2ccccc2)=N1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ NPC1 O15118 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.39
▸ MARS1 P56192 2/20 0.38

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
SCHEMBL1455843 1.00 HTT (0.55) HTTRECQLNPC1MAPTRAB9A
SCHEMBL1456683 1.00 HTT (0.55) HTTRECQLNPC1MAPTRAB9A
SCHEMBL3051865 0.85 NPC1 (0.54) HTTRECQLNPC1MAPTRAB9A
SCHEMBL10358866 0.80 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL13980023 0.80 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL7691543 0.80 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL13786813 0.79 NPC1 (0.54) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL13868568 0.79 NPC1 (0.54) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL9906339 0.77 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL1439353 0.77 NPC1 (0.55) NPC1MAPTRAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118920-B2 Isoxazolyl substituted benzimidazoles CELLCENTRIC LTD (GB) 2018-11-06 — — US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 — — US disclosed
CN-107750249-A The benzimidazole of isoxazolyl substitution 塞尔森瑞科有限责任公司 2018-03-02 — — CN disclosed
EP-3286183-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES Cellcentric Ltd (GB) 2018-02-28 — — EP disclosed
US-9738632-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2017-08-22 — — US disclosed
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2017-03-23 — — US disclosed
US-9512110-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2016-12-06 — — US disclosed
WO-2016170324-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2016-10-27 — — WO disclosed
EP-2291369-B1 BENZODIOXINYL SUBSTITUTED INDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2015-11-04 — — EP disclosed
US-20150080434-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2015-03-19 — — US disclosed
WO-2011061527-A1 COMBINATIONS COMPRISING A GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-05-26 — — WO disclosed
EP-2291369-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES AstraZeneca AB (SE) 2011-03-09 — — EP disclosed
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-08 — — US disclosed
WO-2009142571-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 — — WO disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 — — US disclosed
EP-2035427-A2 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST Mitsubishi Tanabe Pharma Corporation (JP) 2009-03-18 — — EP disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 — — US disclosed
EP-1945220-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-23 — — EP disclosed
WO-2008004698-A2 PYRAZOLO [1, 5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 — — WO disclosed
WO-2007046548-A1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CANNABINOID RECEPTOR ANTAGONISTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 — — 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-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR HTT 3430/4885RECQL 2599/4885NPC1 3892/4885
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 HTT 3925/4885RECQL 3144/4885NPC1 1768/4885
US-20150080434-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES CYP3A5, ABCB1, CYP4X1 HTT 4314/4885RECQL 583/4885NPC1 249/4885
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD HTT 2012/4885RECQL 1/4885NPC1 3153/4885
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives CYP3A5, ABCB1, CYP4X1 HTT 4314/4885RECQL 583/4885NPC1 249/4885
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives CYP3A5, ABCB1, CYP4X1 HTT 4314/4885RECQL 583/4885NPC1 249/4885
US-10118920-B2 Isoxazolyl substituted benzimidazoles EP300, HDAC3, HDAC1 HTT 3925/4885RECQL 3144/4885NPC1 1768/4885

“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.