SCHEMBL21065472

SCHEMBL21065472

CCCCCCCCCc1cc(OC(=O)Oc2cc(CCCCCCCCC)nc3ccccc23)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
DHODH Q02127 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ATM Q13315 1/20 0.42
KCNH2 Q12809 1/20 0.42
TLR8 Q9NR97 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL21065456 1.00 KDM4E (0.51) KDM4ELMNATSHRDHODHALDH1A1
SCHEMBL30271652 0.94 KDM4E (0.48) KDM4ELMNATSHRDHODHALDH1A1
SCHEMBL30271650 0.94 KDM4E (0.48) KDM4ELMNATSHRDHODHALDH1A1
SCHEMBL21065473 0.92 KDM4E (0.51) KDM4ELMNATSHRDHODHALDH1A1
SCHEMBL21065457 0.92 KDM4E (0.51) KDM4ELMNATSHRDHODHALDH1A1
SCHEMBL951984 0.82 LMNA (0.55) KDM4ELMNAALDH1A1HPGDMAPT
SCHEMBL30604082 0.80 KDM4E (0.79) KDM4ELMNADHODHALDH1A1HPGD
SCHEMBL30604207 0.80 KDM4E (0.79) KDM4ELMNADHODHALDH1A1HPGD
SCHEMBL2548727 0.80 ALDH1A1 (0.45) KDM4ELMNATSHRDHODHALDH1A1
SCHEMBL19732877 0.80 AGTR1 (0.47) KDM4ELMNATSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596626-B2 Compound for use against pathogenic Neisseria and Haemophilus species and Moraxella catarrhalis Universität Konstanz (DE) 2023-03-07 US disclosed
US-20210169869-A1 Compound for Use Against Pathogenic Neisseria and Haemophilus Species and Moraxella Catarrhalis Universität Wien (AT) 2021-06-10 US disclosed
EP-3728193-A1 COMPOUND FOR USE AGAINST PATHOGENIC NEISSERIA AND HAEMOPHILUS SPECIES AND MORAXELLA CATARRHALIS Universität Konstanz (DE) 2020-10-28 EP disclosed
EP-3502095-A1 COMPOUND FOR USE AGAINST PATHOGENIC NEISSERIA AND HAEMOPHILUS SPECIES AND MORAXELLA CATARRHALIS Universität Konstanz (DE) 2019-06-26 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 (2 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-11596626-B2 Compound for use against pathogenic Neisseria and Haemophilus species and Moraxella catarrhalis MLEC, MPO, B3GNT2 KDM4E 3329/4885LMNA 1268/4885TSHR 4709/4885
US-20210169869-A1 Compound for Use Against Pathogenic Neisseria and Haemophilus Species and Moraxella Catarrhalis MLEC, MPO, B3GNT2 KDM4E 3329/4885LMNA 1268/4885TSHR 4709/4885

“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.