SCHEMBL19196334

SCHEMBL19196334

CN(CCCN1c2ccccc2Sc2ccccc21)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 1.00
CYP1A2 P05177 5/20 0.68
CYP2D6 P10635 5/20 0.68
KDM1A O60341 4/20 0.68
DRD2 P14416 4/20 0.68
HTR1A P08908 3/20 0.68
CYP2C19 P33261 3/20 0.68
DRD1 P21728 3/20 0.68
DRD5 P21918 3/20 0.68
HRH1 P35367 3/20 0.68
DRD3 P35462 3/20 0.68
SLC22A1 O15245 2/20 0.68
PRNP P04156 2/20 0.68
TP53 P04637 2/20 0.68
CHRM2 P08172 2/20 0.68
CHRM4 P08173 2/20 0.68
CHRM5 P08912 2/20 0.68
ADRA2A P08913 2/20 0.68
CHRM1 P11229 2/20 0.68
ADRA2B P18089 2/20 0.68

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
SCHEMBL19196333 0.85 SIGMAR1 (0.74) SIGMAR1CYP1A2CYP2D6KDM1ADRD2
Promazine SCHEMBL9052694 0.82 CYP2D6 (1.00) SIGMAR1CYP1A2CYP2D6KDM1ADRD2
Promazine SCHEMBL29392545 0.82 CYP2D6 (1.00) SIGMAR1CYP1A2CYP2D6KDM1ADRD2
Promazine SCHEMBL140489 0.82 CYP2D6 (1.00) SIGMAR1CYP1A2CYP2D6KDM1ADRD2
SCHEMBL6866302 0.81 SIGMAR1 (0.68) SIGMAR1CYP1A2CYP2D6KDM1ADRD2
SCHEMBL5880420 0.81 ITGB2 (0.73) SIGMAR1CYP1A2CYP2D6KDM1ADRD2
Promazine SCHEMBL123418 0.80 LMNA (1.00) SIGMAR1CYP1A2CYP2D6KDM1ADRD2
Promazine SCHEMBL29390978 0.80 LMNA (1.00) SIGMAR1CYP1A2CYP2D6KDM1ADRD2
Promazine SCHEMBL27425063 0.80 CYP2D6 (0.97) SIGMAR1CYP1A2CYP2D6KDM1ADRD2
Promazine SCHEMBL27429489 0.80 CYP2D6 (0.97) SIGMAR1CYP1A2CYP2D6KDM1ADRD2

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-10940150-B2 Thymine derivatives and quinazoline-dione derivatives for the inhibition of HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2021-03-09 US disclosed
US-20180207160-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2018-07-26 US disclosed
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2017-08-03 US disclosed
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 TECHNISCHE UNIVERSITAET DRESDEN (DE) 2017-08-03 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-20180207160-A1 THYMINE DERIVATIVES AND QUINAZOLINE-DIONE DERIVATIVES FOR THE INHIBITION OF HSP27 HSPB1, HSP90B1, HSP90AB1 SIGMAR1 2552/4885CYP1A2 3282/4885CYP2D6 3442/4885
US-20170216297-A1 EFFICIENT INHIBITION OF HSP27 HSPB1, HSP90AB2P, HSP90B1 SIGMAR1 2165/4885CYP1A2 2264/4885CYP2D6 3842/4885
US-10940150-B2 Thymine derivatives and quinazoline-dione derivatives for the inhibition of HSP27 HSPB1, HSP90B1, HSP90AB1 SIGMAR1 2552/4885CYP1A2 3282/4885CYP2D6 3442/4885

“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.