SCHEMBL21986791

SCHEMBL21986791

COC(=O)c1c(OC)ccc2nn(C3CCCCO3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ KDM4E B2RXH2 6/20 0.36
▸ HPGD P15428 5/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ATR Q13535 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ GLA P06280 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HCRTR1 O43613 4/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ THRB P10828 2/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL21986808 0.88 SLC6A3 (0.39) ALDH1A1HPGDSMN1; SMN2ATRKMT2A
SCHEMBL21986700 0.88 ATR (0.36) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL21986849 0.80 FGFR1 (0.34) ALDH1A1KDM4EHPGDHSD17B10ATR
SCHEMBL21986760 0.78 MAPT (0.38) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL21986848 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL21986745 0.78 ATR (0.33) ALDH1A1KDM4EHPGDHSD17B10ATR
SCHEMBL21986817 0.69 CYP4F2 (0.35) ALDH1A1ATRKMT2AMEN1
SCHEMBL21986911 0.68 CYP4F2 (0.38) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1564296 0.68 ATR (0.36) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL24423466 0.67 KMT2A (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 — — EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 — — US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 — — US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 — — US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 — — 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 (4 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-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B ALDH1A1 3354/4885KDM4E 3433/4885HPGD 443/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B ALDH1A1 3354/4885KDM4E 3433/4885HPGD 443/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B ALDH1A1 3354/4885KDM4E 3433/4885HPGD 443/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B ALDH1A1 3354/4885KDM4E 3433/4885HPGD 443/4885

“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.

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