SCHEMBL21065451

SCHEMBL21065451

CCCCCCCC=Cc1cc(OC(=O)Oc2cc(C=CCCCCCCC)nc3ccccc23)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LTB4R Q15722 1/20 0.44
FAAH O00519 5/20 0.42
DAGLA Q9Y4D2 1/20 0.42
CES1 P23141 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OXER1 Q8TDS5 1/20 0.41
EPHX2 P34913 2/20 0.40
TDP1 Q9NUW8 1/20 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
SCHEMBL21065450 1.00 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL21128448 0.94 MAPT (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30271653 0.94 MAPT (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL21065452 0.93 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9119169 0.81 MAPT (0.44) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL9119173 0.81 MAPT (0.44) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL8987310 0.78 MAPT (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8987305 0.78 MAPT (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL21065472 0.77 KDM4E (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL21065456 0.77 KDM4E (0.51) MAPTALDH1A1MEN1KMT2AKDM4E

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 MAPT 1211/4885ALDH1A1 1459/4885MEN1 121/4885
US-20210169869-A1 Compound for Use Against Pathogenic Neisseria and Haemophilus Species and Moraxella Catarrhalis MLEC, MPO, B3GNT2 MAPT 1211/4885ALDH1A1 1459/4885MEN1 121/4885

“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.