SCHEMBL17022011

SCHEMBL17022011

CC(C)(C)OC(=O)C1CC(N2CCc3c(sc(NC(=O)Nc4ccc(Cl)cc4)c3C(N)=O)C2)C1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.59
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TNIK Q9UKE5 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL16961525 0.87 KCNH2 (0.64) KCNH2KDM4EKMT2AMAPTMEN1
SCHEMBL17021967 0.85 KCNH2 (0.57) KCNH2KDM4EKMT2AMAPTMEN1
SCHEMBL18220909 0.83 TNIK (0.55) KCNH2KDM4EKMT2AMAPTMEN1
SCHEMBL351566 0.82 KCNH2 (0.66) KCNH2KDM4EKMT2AMAPTMEN1
SCHEMBL17022007 0.82 KCNH2 (0.66) KCNH2KDM4EKMT2AMAPTMEN1
SCHEMBL17022006 0.82 KCNH2 (0.66) KCNH2KDM4EKMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL16961528 0.81 KCNH2 (0.67) KCNH2KDM4EKMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL17006402 0.81 KCNH2 (0.66) KCNH2KDM4EKMT2AMAPTMEN1
SCHEMBL17021997 0.81 KCNH2 (0.62) KCNH2KDM4EKMT2AMAPTMEN1
SCHEMBL17022014 0.80 KCNH2 (0.64) KCNH2KDM4EKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900674-B1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-05-31 EP disclosed
US-9416141-B2 Compounds and methods for preventing, treating and/or protecting against sensory hair cell death UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-08-16 US disclosed
US-20150232476-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2015-08-20 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 (1 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-20150232476-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH BAX, CASP3, BCL2 KCNH2 2265/4885KDM4E 4348/4885KMT2A 4772/4885

“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.