SCHEMBL17021981

SCHEMBL17021981

CCN1CCc2c(sc(NC(=O)Nc3ccc(C#N)cc3)c2C(N)=O)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.80
KMT2A Q03164 8/20 0.72
MAPT P10636 5/20 0.72
KDM4E B2RXH2 4/20 0.72
MEN1 O00255 3/20 0.72
USP2 O75604 2/20 0.72
LMNA P02545 2/20 0.72
ATM Q13315 2/20 0.72
HTT P42858 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 4/20 0.56
GAA P10253 4/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAD52 P43351 2/20 0.54
PSMD14 O00487 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HPGD P15428 1/20 0.53

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 SCHEMBL16960956 0.99 KCNH2 (0.81) KCNH2KMT2AMAPTKDM4EMEN1
SCHEMBL17022024 0.90 KMT2A (0.69) KCNH2KMT2AMAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL17006421 0.89 KCNH2 (0.69) KCNH2KMT2AMAPTKDM4EMEN1
SCHEMBL2682306 0.89 KCNH2 (1.00) KCNH2KMT2AMAPTKDM4EMEN1
SCHEMBL17018737 0.89 KCNH2 (0.85) KCNH2KMT2AMAPTKDM4EMEN1
SCHEMBL17006403 0.88 KCNH2 (0.83) KCNH2KMT2AMAPTKDM4EMEN1
SCHEMBL17018735 0.88 KCNH2 (0.83) KCNH2KMT2AMAPTKDM4EMEN1
SCHEMBL17006343 0.88 KCNH2 (0.83) KCNH2KMT2AMAPTKDM4EMEN1
SCHEMBL17006341 0.87 KCNH2 (0.82) KCNH2KMT2AMAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL16960394 0.87 KCNH2 (0.84) KCNH2KMT2AMAPTKDM4EMEN1

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 4772/4885MAPT 2252/4885
US-20150232476-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH BAX, CASP3, BCL2 KCNH2 2265/4885KMT2A 4772/4885MAPT 2252/4885

“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.