SCHEMBL15420776

SCHEMBL15420776

CCOC(=O)C1=C(N[C@@H](C)c2ccccc2)CCOC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CXCR2 P25025 2/20 0.39
CASP3 P42574 1/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
PPP1CA P62136 1/20 0.39
TP53 P04637 1/20 0.39
NPY2R P49146 1/20 0.38
KCNK3 O14649 1/20 0.38
MMP8 P22894 1/20 0.38
GAA P10253 1/20 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
SCHEMBL18398628 1.00 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBCXCR2
SCHEMBL28511317 1.00 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBCXCR2
SCHEMBL6353091 0.91 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBCXCR2
SCHEMBL6353089 0.91 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBCXCR2
SCHEMBL15420512 0.91 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBCXCR2
SCHEMBL6717708 0.84 KDM4C (0.40) KDM4EALDH1A1POLBCXCR2LMNA
SCHEMBL10137636 0.83 ALOX5 (0.50) ALOX5KDM4EALDH1A1POLBLMNA
SCHEMBL30782219 0.83 ALOX5 (0.50) ALOX5KDM4EALDH1A1POLBLMNA
SCHEMBL4431627 0.83 ALOX5 (0.50) ALOX5KDM4EALDH1A1POLBLMNA
SCHEMBL4431629 0.83 ALOX5 (0.50) ALOX5KDM4EALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026088-B Oxadiazole derivatives as HDAC inhibitors 武田药品工业株式会社 2021-02-12 CN disclosed
EP-3325475-B1 OXADIAZOLE DERIVATIVES USEFUL AS HDAC INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-03-18 EP disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-10308643-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
US-20170015655-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-19 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 (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-20170015655-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC11, HDAC5 ALOX5 2969/4885KDM4E 111/4885ALDH1A1 836/4885
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 ALOX5 2100/4885KDM4E 2112/4885ALDH1A1 143/4885
US-10308643-B2 Heterocyclic compound HDAC1, HDAC11, HDAC5 ALOX5 2969/4885KDM4E 111/4885ALDH1A1 836/4885

“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.