SCHEMBL4247663

SCHEMBL4247663

CCN(CC)CCCN1c2ccccc2Sc2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.71
CYP2D6 P10635 7/20 0.71
KDM1A O60341 6/20 0.71
HTR1A P08908 5/20 0.71
SIGMAR1 Q99720 4/20 0.71
CYP2C19 P33261 4/20 0.71
CHRM2 P08172 4/20 0.71
CHRM1 P11229 4/20 0.71
DRD3 P35462 4/20 0.71
CHRM4 P08173 3/20 0.71
CHRM5 P08912 3/20 0.71
DRD2 P14416 3/20 0.71
ADRA2C P18825 3/20 0.71
CHRM3 P20309 3/20 0.71
HRH2 P25021 3/20 0.71
HTR2A P28223 3/20 0.71
HTR2C P28335 3/20 0.71
HRH1 P35367 3/20 0.71
HTR2B P41595 3/20 0.71
TP53 P04637 3/20 0.71

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
SCHEMBL6864995 0.95 POLB (0.68) CYP1A2CYP2D6KDM1AHTR1ASIGMAR1
Diethazine SCHEMBL142924 0.90 POLB (0.83) CYP1A2CYP2D6KDM1AHTR1ASIGMAR1
Diethazine SCHEMBL30592079 0.90 POLB (0.83) CYP1A2CYP2D6KDM1AHTR1ASIGMAR1
Diethazine SCHEMBL142381 0.89 POLB (0.81) CYP1A2CYP2D6KDM1AHTR1ASIGMAR1
Chlorproethazine SCHEMBL149201 0.88 CYP1A2 (0.77) CYP1A2CYP2D6KDM1AHTR1ASIGMAR1
Chlorproethazine SCHEMBL29818123 0.88 CYP1A2 (0.77) CYP1A2CYP2D6KDM1AHTR1ASIGMAR1
Diethazine SCHEMBL1650081 0.87 POLB (0.78) CYP1A2CYP2D6KDM1AHTR1ASIGMAR1
Chlorproethazine SCHEMBL9724486 0.87 LMNA (0.78) CYP1A2CYP2D6KDM1AHTR1ASIGMAR1
SCHEMBL13305271 0.86 CYP1A2 (0.78) CYP1A2CYP2D6KDM1AHTR1ASIGMAR1
Chlorproethazine SCHEMBL1648952 0.86 CYP1A2 (0.74) CYP1A2CYP2D6KDM1AHTR1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897311-B2 Phenothiazine containing photogenerating layer photoconductors XEROX CORPORATION (US) 2011-03-01 US claimed
US-20090274969-A1 PHENOTHIAZINE CONTAINING PHOTOGENERATING LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-11-05 US claimed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-7897311-B2 Phenothiazine containing photogenerating layer photoconductors XEROX CORPORATION (US) 2011-03-01 US disclosed
US-7897311-B2 Phenothiazine containing photogenerating layer photoconductors XEROX CORPORATION (US) 2011-03-01 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 US disclosed
US-20090274969-A1 PHENOTHIAZINE CONTAINING PHOTOGENERATING LAYER PHOTOCONDUCTORS XEROX CORPORATION (US) 2009-11-05 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-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 CYP1A2 2498/4885CYP2D6 1351/4885KDM1A 2111/4885

“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.