SCHEMBL17022007

SCHEMBL17022007

CN1CCC(N2CCc3c(sc(NC(=O)Nc4ccc(Cl)cc4)c3C(N)=O)C2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.66
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 3/20 0.55
ATM Q13315 2/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
TNIK Q9UKE5 1/20 0.48

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 SCHEMBL16961528 0.99 KCNH2 (0.67) KCNH2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL17022014 0.95 KCNH2 (0.64) KCNH2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL17021990 0.89 KCNH2 (0.64) KCNH2CYP3A4CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL16960430 0.88 KCNH2 (0.64) KCNH2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL17022006 0.87 KCNH2 (0.66) KCNH2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL16962993 0.86 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL18902248 0.86 KCNH2 (0.76) KCNH2CYP3A4CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL17006402 0.86 KCNH2 (0.66) KCNH2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL17022016 0.85 KCNH2 (0.61) KCNH2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL16961525 0.85 KCNH2 (0.64) KCNH2CYP3A4CYP2C9CYP2C19KDM4E

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 2265/4885CYP3A4 4871/4885CYP2C9 4873/4885
US-20150232476-A1 COMPOUNDS AND METHODS FOR PREVENTING, TREATING AND/OR PROTECTING AGAINST SENSORY HAIR CELL DEATH BAX, CASP3, BCL2 KCNH2 2265/4885CYP3A4 4871/4885CYP2C9 4873/4885

“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.