SCHEMBL21707908

SCHEMBL21707908

COCCOC(=O)c1cc(OCCOC)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAPT P10636 7/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 4/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTGER4 P35408 1/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL268658 0.91 TDP1 (0.55) MAPTTDP1KDM4ERAB9AKMT2A
SCHEMBL3512410 0.90 TSHR (0.48) TSHRMAPTKDM4ERAB9AKMT2A
SCHEMBL28528554 0.86 KDM4E (0.49) TSHRMAPTTDP1KDM4ERAB9A
SCHEMBL30686065 0.86 KDM4E (0.49) TSHRMAPTTDP1KDM4ERAB9A
SCHEMBL28528923 0.85 MAPT (0.47) MAPTTDP1KDM4ERAB9AKMT2A
SCHEMBL21707979 0.85 MAPT (0.60) MAPTTDP1KDM4ERAB9AKMT2A
SCHEMBL30686032 0.85 MAPT (0.47) MAPTTDP1KDM4ERAB9AKMT2A
SCHEMBL21707917 0.83 MAPT (0.44) MAPTTDP1KDM4ERAB9AKMT2A
SCHEMBL27122616 0.80 MAPT (0.45) MAPTTDP1KDM4ERAB9AKMT2A
SCHEMBL4255397 0.80 TDP1 (0.55) MAPTTDP1RAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111410659-B PDE9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2023-08-15 CN disclosed
US-20220081409-A1 PDE9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-03-17 US disclosed
US-20220081409-A1 PDE9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-03-17 US disclosed
US-11071735-B2 Treatment of inflammatory conditions and autoimmune diseases with glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2021-07-27 US disclosed
US-11071735-B2 Treatment of inflammatory conditions and autoimmune diseases with glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2021-07-27 US disclosed
WO-2020143626-A1 PDE9 INHIBITOR AND USE THEREOF 南京药捷安康生物科技有限公司 2020-07-16 WO disclosed
CN-111410659-A PDE9 inhibitors and uses thereof 南京药捷安康生物科技有限公司 2020-07-14 CN disclosed
US-20200046702-A1 TREATMENT OF INFLAMMATORY CONDITIONS AND AUTOIMMUNE DISEASES WITH GLUCOSE UPTAKE INHIBITORS KADMON CORPORATION, LLC 2020-02-13 US disclosed
US-20200046702-A1 TREATMENT OF INFLAMMATORY CONDITIONS AND AUTOIMMUNE DISEASES WITH GLUCOSE UPTAKE INHIBITORS KADMON CORPORATION, LLC 2020-02-13 US disclosed
WO-2018201006-A1 TREATMENT OF INFLAMMATORY CONDITIONS AND AUTOIMMUNE DISEASES WITH GLUCOSE UPTAKE INHIBITORS KADMON CORPORATION, LLC (US) 2018-11-01 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 (3 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-11071735-B2 Treatment of inflammatory conditions and autoimmune diseases with glucose uptake inhibitors SLC2A3, SLC2A4, SLC2A1 TSHR 2325/4885MAPT 1704/4885TDP1 4032/4885
US-20220081409-A1 PDE9 INHIBITOR AND USE THEREOF PDE9A, PDE5A, PDE12 TSHR 3037/4885MAPT 3213/4885TDP1 393/4885
US-20200046702-A1 TREATMENT OF INFLAMMATORY CONDITIONS AND AUTOIMMUNE DISEASES WITH GLUCOSE UPTAKE INHIBITORS SLC2A3, SLC2A4, SLC2A1 TSHR 2325/4885MAPT 1704/4885TDP1 4032/4885

“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.