SCHEMBL9611564

SCHEMBL9611564

CN(C)CN1c2ccccc2Sc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.68
CYP2D6 P10635 7/20 0.64
CHRM2 P08172 5/20 0.64
HTR1A P08908 5/20 0.64
ADRA2A P08913 5/20 0.64
CHRM1 P11229 5/20 0.64
DRD1 P21728 5/20 0.64
SLC6A2 P23975 5/20 0.64
SLC6A4 P31645 5/20 0.64
ADRA1A P35348 5/20 0.64
OPRM1 P35372 5/20 0.64
DRD3 P35462 5/20 0.64
KCNH2 Q12809 5/20 0.64
CYP1A2 P05177 5/20 0.64
SLC22A1 O15245 4/20 0.64
SIGMAR1 Q99720 4/20 0.64
CYP2C19 P33261 3/20 0.64
PRNP P04156 3/20 0.64
CHRM4 P08173 3/20 0.64
CHRM5 P08912 3/20 0.64

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
Fenethazine SCHEMBL144367 0.81 KDM1A (1.00) KDM1ACYP2D6CHRM2HTR1AADRA2A
Fenethazine SCHEMBL29394568 0.81 KDM1A (1.00) KDM1ACYP2D6CHRM2HTR1AADRA2A
Fenethazine SCHEMBL662746 0.79 KDM1A (0.96) KDM1ACYP2D6CHRM2HTR1AADRA2A
Trimethylammonium SCHEMBL27630331 0.78 KDM1A (0.61) KDM1ACYP2D6CHRM2HTR1AADRA2A
Promazine SCHEMBL140489 0.78 CYP2D6 (1.00) KDM1ACYP2D6CHRM2HTR1AADRA2A
Promazine SCHEMBL29392545 0.78 CYP2D6 (1.00) KDM1ACYP2D6CHRM2HTR1AADRA2A
Promazine SCHEMBL9052694 0.78 CYP2D6 (1.00) KDM1ACYP2D6CHRM2HTR1AADRA2A
SCHEMBL293951 0.77 KDM1A (0.61) KDM1ACYP2D6CHRM2HTR1AADRA2A
SCHEMBL29557425 0.77 KDM1A (0.61) KDM1ACYP2D6CHRM2HTR1AADRA2A
Promazine SCHEMBL123418 0.77 LMNA (1.00) KDM1ACYP2D6CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION 2018-03-15 US disclosed
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders THE GENERAL HOSPITAL CORPORATION 2016-11-10 US disclosed
US-9399032-B2 Methods and compositions for treating degenerative and ischemic disorders THE GENERAL HOSPITAL CORPORATION (US) 2016-07-26 US disclosed
US-20120136007-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS THE GENERAL HOSPITAL CORPORATION (US) 2012-05-31 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 (3 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-20180071279-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS PINK1, PC, PCK2 KDM1A 1783/4885CYP2D6 2734/4885CHRM2 958/4885
US-20120136007-A1 METHODS AND COMPOSITIONS FOR TREATING DEGENERATIVE AND ISCHEMIC DISORDERS PINK1, PC, PCK2 KDM1A 1783/4885CYP2D6 2734/4885CHRM2 958/4885
US-20160324850-A1 Methods and Compositions for Treating Degenerative and Ischemic Disorders PINK1, PC, PCK2 KDM1A 1783/4885CYP2D6 2734/4885CHRM2 958/4885

“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.