SCHEMBL17018779

SCHEMBL17018779

CO/N=C1/CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.57
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
TNIK Q9UKE5 1/20 0.46
FLT3 P36888 1/20 0.46
TP53 P04637 1/20 0.45
XBP1 P17861 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL17006374 1.00 KCNH2 (0.57) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL17006375 1.00 KCNH2 (0.57) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL5457841 0.84 FLT3 (0.53) KCNH2MEN1KMT2AMAPTTNIK
SCHEMBL5457837 0.84 FLT3 (0.53) KCNH2MEN1KMT2AMAPTTNIK
SCHEMBL18902163 0.82 KCNH2 (0.57) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL18220894 0.82 KCNH2 (0.64) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL17006411 0.82 KCNH2 (0.67) KCNH2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4234573 0.78 FLT3 (0.72) KCNH2CYP2C19MEN1KMT2AMAPT
SCHEMBL18015730 0.78 KCNH2 (0.71) KCNH2MEN1KMT2AKDM4EMAPT
SCHEMBL5451573 0.78 FLT3 (0.60) CYP2C19MEN1KMT2AKDM4EMAPT

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
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-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 (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 2265/4885CYP3A4 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.