SCHEMBL17021998

SCHEMBL17021998

CCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(=O)NCC(F)(F)F)C1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.72
KMT2A Q03164 11/20 0.60
KDM4E B2RXH2 5/20 0.60
MEN1 O00255 4/20 0.60
MAPT P10636 3/20 0.60
USP2 O75604 2/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
ATM Q13315 1/20 0.60
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.47
MITF O75030 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ANO1 Q5XXA6 1/20 0.45

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
Hydrochloric Acid SCHEMBL17006391 0.99 KCNH2 (0.73) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL17021999 0.87 KCNH2 (0.75) KCNH2KMT2AKDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL17006311 0.86 KCNH2 (0.75) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL17021982 0.86 KCNH2 (0.72) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL17022040 0.85 KCNH2 (0.71) KCNH2KMT2AKDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL17006432 0.85 KCNH2 (0.73) KCNH2KMT2AKDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL17006338 0.84 KCNH2 (0.71) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL2682306 0.84 KCNH2 (1.00) KCNH2KMT2AKDM4EMEN1MAPT
SCHEMBL17022034 0.83 KCNH2 (0.69) KCNH2KMT2AKDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL17006441 0.83 KCNH2 (0.69) KCNH2KMT2AKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902738-B2 Compounds and methods for preventing, treating and/or protecting against sensory hair cell death UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-02-27 US disclosed
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-20160326186-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH FRED HUTCHINSON CANCER CENTER 2016-11-10 US 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 (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-20160326186-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH BAX, CASP3, BCL2 KCNH2 2265/4885KMT2A 4772/4885KDM4E 4348/4885
US-20150232476-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH BAX, CASP3, BCL2 KCNH2 2265/4885KMT2A 4772/4885KDM4E 4348/4885

“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.