SCHEMBL17006408

SCHEMBL17006408

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.72
KMT2A Q03164 12/20 0.60
MEN1 O00255 10/20 0.60
KDM4E B2RXH2 7/20 0.60
MAPT P10636 6/20 0.60
LMNA P02545 2/20 0.60
USP2 O75604 1/20 0.60
HTT P42858 1/20 0.60
ATM Q13315 1/20 0.60
ALDH1A1 P00352 7/20 0.59
GAA P10253 6/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
TNNI3 P19429 1/20 0.53
TNNT2 P45379 1/20 0.53
TNNC1 P63316 1/20 0.53
POLB P06746 3/20 0.52
NPSR1 Q6W5P4 3/20 0.50

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
SCHEMBL2682306 0.84 KCNH2 (1.00) KCNH2KMT2AMEN1KDM4EMAPT
SCHEMBL18902232 0.83 KCNH2 (0.74) KCNH2KMT2AMEN1KDM4EMAPT
SCHEMBL17021981 0.82 KCNH2 (0.80) KCNH2KMT2AMEN1KDM4EMAPT
Hydrochloric Acid SCHEMBL16960956 0.81 KCNH2 (0.81) KCNH2KMT2AMEN1KDM4EMAPT
SCHEMBL17021998 0.81 KCNH2 (0.72) KCNH2KMT2AMEN1KDM4EMAPT
SCHEMBL17021999 0.80 KCNH2 (0.75) KCNH2KMT2AMEN1KDM4EMAPT
Hydrochloric Acid SCHEMBL17006391 0.80 KCNH2 (0.73) KCNH2KMT2AMEN1KDM4EMAPT
SCHEMBL16961933 0.79 KCNH2 (0.73) KCNH2KMT2AMEN1KDM4EMAPT
Hydrochloric Acid SCHEMBL17006311 0.79 KCNH2 (0.75) KCNH2KMT2AMEN1KDM4EMAPT
SCHEMBL17021982 0.79 KCNH2 (0.72) KCNH2KMT2AMEN1KDM4EMAPT

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 10 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
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
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-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-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
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 4772/4885MEN1 4393/4885
US-20150232476-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH BAX, CASP3, BCL2 KCNH2 2265/4885KMT2A 4772/4885MEN1 4393/4885

“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.