SCHEMBL110755

SCHEMBL110755

O=S(=O)(c1ccccc1)n1ncc2c(-c3ncc(CO)o3)cc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.39
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
SLC9A1 P19634 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
RORC P51449 3/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 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
SCHEMBL27933961 0.90 HTR6 (0.36) HTR6NPSR1ALDH1A1CYP2C19CYP1A2
SCHEMBL456984 0.90 HTR6 (0.37) HTR6NPSR1ALDH1A1CYP2C19CYP1A2
SCHEMBL458128 0.86 HTR6 (0.39) HTR6NPSR1CYP2C19CYP1A2CYP3A4
SCHEMBL19221842 0.84 HTR6 (0.38) HTR6ALDH1A1
SCHEMBL15049938 0.82 PIK3CD (0.41) HTR6ALDH1A1
SCHEMBL660444 0.82 PIK3CD (0.41) HTR6ALDH1A1
SCHEMBL657902 0.82 PIK3CD (0.41) HTR6ALDH1A1
SCHEMBL109862 0.82 ALDH1A1 (0.42) NPSR1ALDH1A1
SCHEMBL111538 0.82 KMT2A (0.39) HTR6NPSR1ALDH1A1CYP2C19CYP1A2
SCHEMBL27933957 0.81 HTR6 (0.35) HTR6NPSR1ALDH1A1CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3260453-B1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LTD (GB) 2021-03-31 EP disclosed
EP-3260453-B1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LTD (GB) 2021-03-31 EP disclosed
US-10946025-B2 Compounds GLAXO GROUP LIMITED (GB) 2021-03-16 US disclosed
US-10946025-B2 Compounds GLAXO GROUP LIMITED (GB) 2021-03-16 US disclosed
US-20200206237-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2020-07-02 US disclosed
US-20200206237-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2020-07-02 US disclosed
US-10624898-B2 Compounds GLAXO GROUP LIMITED (GB) 2020-04-21 US disclosed
US-10624898-B2 Compounds GLAXO GROUP LIMITED (GB) 2020-04-21 US disclosed
US-20190328744-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2019-10-31 US disclosed
US-20190328744-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2019-10-31 US disclosed
US-20120046286-A1 Novel Compounds HAMBLIN JULIE NICOLE (GB) 2012-02-23 US disclosed
US-20120046286-A1 Novel Compounds HAMBLIN JULIE NICOLE (GB) 2012-02-23 US disclosed
WO-2010125082-A1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125082-A1 OXAZOLE SUBSTITUTED INDAZOLES AS PI3-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
US-20100280029-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280029-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280029-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280045-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280045-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US disclosed
US-20100280045-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-11-04 US 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-10624898-B2 Compounds PIK3CA, PIK3CD, PIK3C3 HTR6 4089/4885NPSR1 2131/4885ALDH1A1 2224/4885
US-10946025-B2 Compounds PIK3CA, PIK3CD, PIK3C3 HTR6 4089/4885NPSR1 2131/4885ALDH1A1 2224/4885
US-20190328744-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885NPSR1 2317/4885ALDH1A1 2899/4885
US-20100280045-A1 NOVEL COMPOUNDS PLK3, PLK1, PLK2 HTR6 3865/4885NPSR1 3968/4885ALDH1A1 3472/4885
US-20100280029-A1 NOVEL COMPOUNDS PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885NPSR1 2837/4885ALDH1A1 2100/4885
US-20120046286-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B HTR6 4373/4885NPSR1 2837/4885ALDH1A1 2100/4885
US-20200206237-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B HTR6 4445/4885NPSR1 2317/4885ALDH1A1 2899/4885

“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.